3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

C13H14N2O3S2 — CID 60675322

IUPAC3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C13H14N2O3S2/c1-8-10(3)19-13(14-8)15-20(17,18)12-6-4-5-11(7-12)9(2)16/h4-7H,1-3H3,(H,14,15)
InChIKeyPNZQWHFSSUPIQH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.76
Rot. Bonds4

About 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 60675322) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID60675322
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C13H14N2O3S2/c1-8-10(3)19-13(14-8)15-20(17,18)12-6-4-5-11(7-12)9(2)16/h4-7H,1-3H3,(H,14,15)
InChIKeyPNZQWHFSSUPIQH-UHFFFAOYSA-N
XLogP2.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 61466425
3-acetyl-N-benzo[e][1,3]benzothiazol-2-ylbenzenesulfonamide
CID 8603572
5-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfamoyl]-2-fluorobenzoic acid
CID 60675390
N-(3-acetylphenyl)sulfonyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 71893535
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 60675416
4-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919743
N-[4-[2-[(3-acetylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504634
3-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395197
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 61466424
4-acetyl-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 167825976
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
(2S)-2-(3-acetylanilino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 36770876

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 60675322) is 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(C)s2)c1.
What is the InChIKey of 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is PNZQWHFSSUPIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-8-10(3)19-13(14-8)15-20(17,18)12-6-4-5-11(7-12)9(2)16/h4-7H,1-3H3,(H,14,15).
What are the key properties of 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 310.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 60675322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).