2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

C21H15ClN4O3S2 — CID 26843289

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN4O3S2/c22-15-7-9-16(10-8-15)31(28,29)26-18-6-2-1-5-17(18)20(27)25-21-24-19(13-30-21)14-4-3-11-23-12-14/h1-13,26H,(H,24,25,27)
InChIKeyHWONMHIHCZBZSG-UHFFFAOYSA-N
MW470.96 g/mol
LogP4.91
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide

2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 26843289) has the molecular formula C21H15ClN4O3S2 and a molecular weight of 470.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
PubChem CID26843289
Molecular FormulaC21H15ClN4O3S2
Molecular Weight470.96 g/mol
Exact Mass470.03
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN4O3S2/c22-15-7-9-16(10-8-15)31(28,29)26-18-6-2-1-5-17(18)20(27)25-21-24-19(13-30-21)14-4-3-11-23-12-14/h1-13,26H,(H,24,25,27)
InChIKeyHWONMHIHCZBZSG-UHFFFAOYSA-N
XLogP4.91
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041309
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide
CID 70789452
3-[(4-methylphenyl)sulfonylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 70789554
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789474
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 18277166
5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789526
4-(benzenesulfonamido)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 121043565
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2359647
2-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-nitrothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 121040870
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041363
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide (CID 26843289) is 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is HWONMHIHCZBZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O3S2/c22-15-7-9-16(10-8-15)31(28,29)26-18-6-2-1-5-17(18)20(27)25-21-24-19(13-30-21)14-4-3-11-23-12-14/h1-13,26H,(H,24,25,27).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 470.96 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 26843289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).