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

C16H12ClN3O3S2 — CID 1336667

IUPAC4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClN3O3S2/c17-12-3-7-14(8-4-12)25(22,23)20-13-5-1-11(2-6-13)15(21)19-16-18-9-10-24-16/h1-10,20H,(H,18,19,21)
InChIKeySFYMNLHZBPJJCB-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.85
Rot. Bonds5

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

4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1336667) has the molecular formula C16H12ClN3O3S2 and a molecular weight of 393.88 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1336667
Molecular FormulaC16H12ClN3O3S2
Molecular Weight393.88 g/mol
Exact Mass393.00
IUPAC Name4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClN3O3S2/c17-12-3-7-14(8-4-12)25(22,23)20-13-5-1-11(2-6-13)15(21)19-16-18-9-10-24-16/h1-10,20H,(H,18,19,21)
InChIKeySFYMNLHZBPJJCB-UHFFFAOYSA-N
XLogP3.85
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 577307
2-chloro-5-(morpholin-4-ylsulfonyl)-N-(1,3-thiazol-2-yl)benzamide
CID 1102161
3-chloro-4-(3,3-dimethylbutyrylamino)-N-thiazol-2-ylbenzamide
CID 11163971
2-Chloro-4-(3,3-dimethyl-butyrylamino)-N-thiazol-2-yl-benzamide
CID 51050124
4-(Cyclohexylmethyl-sulfamoyl)-N-thiazol-2-yl-benzamide
CID 652627
4-(phenylsulfonyl)-N-1,3-thiazol-2-ylbenzamide
CID 753886
2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1245634
4-[3-(3-Fluoro-benzoyl)-thioureido]-N-thiazol-2-yl-benzenesulfonamide
CID 1982030
3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2115997
2-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2621052

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide (CID 1336667) is 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is SFYMNLHZBPJJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S2/c17-12-3-7-14(8-4-12)25(22,23)20-13-5-1-11(2-6-13)15(21)19-16-18-9-10-24-16/h1-10,20H,(H,18,19,21).
What are the key properties of 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide?
4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 393.88 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1336667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).