N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide

C13H17NO3S — CID 82164865

IUPACN-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
SMILESCC(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NO3S/c1-9(2)13(15)10-3-7-12(8-4-10)18(16,17)14-11-5-6-11/h3-4,7-9,11,14H,5-6H2,1-2H3
InChIKeyUQHFUPVSJCNJKS-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.97
Rot. Bonds5

About N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide

N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide (PubChem CID 82164865) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
PubChem CID82164865
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
SMILESCC(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C13H17NO3S/c1-9(2)13(15)10-3-7-12(8-4-10)18(16,17)14-11-5-6-11/h3-4,7-9,11,14H,5-6H2,1-2H3
InChIKeyUQHFUPVSJCNJKS-UHFFFAOYSA-N
XLogP1.97
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-(2-methylpropanoyl)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

4-(2-methylpropanoyl)-N-propan-2-ylbenzenesulfonamide
CID 82164855
2-[[4-(cyclopropylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119123974
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
4-(cyclopropylsulfamoyl)-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 30332182
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 119607469
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 46818823
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide (CID 82164865) is N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide is CC(C)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide?
The InChIKey is UQHFUPVSJCNJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-9(2)13(15)10-3-7-12(8-4-10)18(16,17)14-11-5-6-11/h3-4,7-9,11,14H,5-6H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide?
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide is sourced from PubChem (CID 82164865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).