BioLiP

PDB

BioLiP

PDB CCD ID:

WJN

Number of entries in BioLiP:

Chemical formula:

C14 H12 F3 N3 O3 S

InChI:

InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)

InChIKey:

PTTQRLLAHZHAEV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(N)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
CACTVS 3.385	N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(F)(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N

Name:

4-{[4-(trifluoromethyl)phenyl]carbamamido}benzene-1-sulfonamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).