N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide

C24H18ClFN2O4S2 — CID 11978486

IUPACN-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1csc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C24H18ClFN2O4S2/c25-18-8-11-22(32-14-16-6-9-19(26)10-7-16)17(12-18)13-23-27-21(15-33-23)24(29)28-34(30,31)20-4-2-1-3-5-20/h1-12,15H,13-14H2,(H,28,29)
InChIKeyFONGGZUZGHQMTE-UHFFFAOYSA-N
MW517.00 g/mol
LogP5.22
Rot. Bonds8

About N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide

N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 11978486) has the molecular formula C24H18ClFN2O4S2 and a molecular weight of 517.00 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID11978486
Molecular FormulaC24H18ClFN2O4S2
Molecular Weight517.00 g/mol
Exact Mass516.04
IUPAC NameN-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1csc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1
InChIInChI=1S/C24H18ClFN2O4S2/c25-18-8-11-22(32-14-16-6-9-19(26)10-7-16)17(12-18)13-23-27-21(15-33-23)24(29)28-34(30,31)20-4-2-1-3-5-20/h1-12,15H,13-14H2,(H,28,29)
InChIKeyFONGGZUZGHQMTE-UHFFFAOYSA-N
XLogP5.22
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.00
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59786292
2-[[2-[(4-fluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 11979192
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-[4-[(3-oxopiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 59786378
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(4-chlorophenyl)sulfonylpyridine-2-carboxamide
CID 71519482
ethyl 2-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786330
tert-butyl N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]carbamate
CID 59786415
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazole-4-carbonitrile
CID 59786319
N-(3-bromophenyl)sulfonyl-6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxamide
CID 11498213
2-[(3-chlorophenyl)methoxy]-N-(4-fluorophenyl)sulfonylbenzamide
CID 110161776
ethyl 2-[[5-chloro-2-[(2,4,5-trifluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786522
ethyl 2-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxylate
CID 59786310

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 11978486) is N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1csc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1.
What is the InChIKey of N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FONGGZUZGHQMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O4S2/c25-18-8-11-22(32-14-16-6-9-19(26)10-7-16)17(12-18)13-23-27-21(15-33-23)24(29)28-34(30,31)20-4-2-1-3-5-20/h1-12,15H,13-14H2,(H,28,29).
What are the key properties of N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 517.00 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-2-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11978486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).