2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H16ClN3O3S2 — CID 16944431

IUPAC2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1Cl
InChIInChI=1S/C18H16ClN3O3S2/c1-11-8-9-13(10-15(11)19)21-17(23)16-12(2)20-18(26-16)22-27(24,25)14-6-4-3-5-7-14/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyIAOQPNAAWJMWMU-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.47
Rot. Bonds5

About 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944431) has the molecular formula C18H16ClN3O3S2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944431
Molecular FormulaC18H16ClN3O3S2
Molecular Weight421.93 g/mol
Exact Mass421.03
IUPAC Name2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1Cl
InChIInChI=1S/C18H16ClN3O3S2/c1-11-8-9-13(10-15(11)19)21-17(23)16-12(2)20-18(26-16)22-27(24,25)14-6-4-3-5-7-14/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyIAOQPNAAWJMWMU-UHFFFAOYSA-N
XLogP4.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-chloro-4-methylphenyl)urea
CID 46382550
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
2-(benzenesulfonamido)-N-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16828747
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944585
2-(benzenesulfonamido)-N-(2-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944395
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945056
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55705974

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 16944431) is 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C)cc1Cl.
What is the InChIKey of 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IAOQPNAAWJMWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S2/c1-11-8-9-13(10-15(11)19)21-17(23)16-12(2)20-18(26-16)22-27(24,25)14-6-4-3-5-7-14/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).