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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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).