4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide

C17H15N3O3S2 — CID 1309992

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(c1ccc(C(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15N3O3S2/c1-20(25(22,23)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(21)19-17-18-11-12-24-17/h2-12H,1H3,(H,18,19,21)
InChIKeyLJZYYSIPPKMYER-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.22
Rot. Bonds5

About 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 1309992) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID1309992
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(c1ccc(C(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H15N3O3S2/c1-20(25(22,23)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(21)19-17-18-11-12-24-17/h2-12H,1H3,(H,18,19,21)
InChIKeyLJZYYSIPPKMYER-UHFFFAOYSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
2,2-Diphenyl-N-(4-(1,3-thiazol-2-ylsulfamoyl)phenyl)acetamide
CID 998021
4-Nitro-N-(2-thiazolyl)benzamide
CID 230363
Benzamide, 4-[(3,3-dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-2-thiazolyl-
CID 16122818
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 1336667
4-(dimethylamino)-N-(thiazol-2-yl)benzamide
CID 2463677
4-[(5-Bromo-1,3-Thiazol-2-Yl)amino]-N-Methylbenzamide
CID 24180715
2-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 577307
4-butyrylamino-N-thiazol-2-ylbenzamide
CID 883547
3-cyclohexyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 1080629

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide (CID 1309992) is 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide is CN(c1ccc(C(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is LJZYYSIPPKMYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-20(25(22,23)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(21)19-17-18-11-12-24-17/h2-12H,1H3,(H,18,19,21).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1309992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).