3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C15H16N2O3S2 — CID 110715950

IUPAC3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(Cc2nccs2)C2CC2)c1
InChIInChI=1S/C15H16N2O3S2/c1-11(18)12-3-2-4-14(9-12)22(19,20)17(13-5-6-13)10-15-16-7-8-21-15/h2-4,7-9,13H,5-6,10H2,1H3
InChIKeyZDJZNWGUHFVBKT-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.70
Rot. Bonds6

About 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 110715950) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID110715950
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(Cc2nccs2)C2CC2)c1
InChIInChI=1S/C15H16N2O3S2/c1-11(18)12-3-2-4-14(9-12)22(19,20)17(13-5-6-13)10-15-16-7-8-21-15/h2-4,7-9,13H,5-6,10H2,1H3
InChIKeyZDJZNWGUHFVBKT-UHFFFAOYSA-N
XLogP2.70
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110716109
3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
3-acetyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61384835
4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715910
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanesulfonamide
CID 110715902
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)ethanesulfonamide
CID 110715903
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
3-acetyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)benzenesulfonamide
CID 90607213
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3837819
3-acetyl-N-benzyl-N-(1-cyclopropylethyl)benzenesulfonamide
CID 51169070

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 110715950) is 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(Cc2nccs2)C2CC2)c1.
What is the InChIKey of 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZDJZNWGUHFVBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-11(18)12-3-2-4-14(9-12)22(19,20)17(13-5-6-13)10-15-16-7-8-21-15/h2-4,7-9,13H,5-6,10H2,1H3.
What are the key properties of 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110715950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).