2-amino-N-cyclobutyl-4-methylbenzenesulfonamide

C11H16N2O2S — CID 62414526

IUPAC2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC2)c(N)c1
InChIInChI=1S/C11H16N2O2S/c1-8-5-6-11(10(12)7-8)16(14,15)13-9-3-2-4-9/h5-7,9,13H,2-4,12H2,1H3
InChIKeyRKSZKGFRVDZKAE-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide

2-amino-N-cyclobutyl-4-methylbenzenesulfonamide (PubChem CID 62414526) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
PubChem CID62414526
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC2)c(N)c1
InChIInChI=1S/C11H16N2O2S/c1-8-5-6-11(10(12)7-8)16(14,15)13-9-3-2-4-9/h5-7,9,13H,2-4,12H2,1H3
InChIKeyRKSZKGFRVDZKAE-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide 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

2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 43258077
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
3-amino-4-(cyclobutylsulfamoyl)benzoic acid
CID 81471279
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
2-amino-N-cyclobutylbenzenesulfonamide
CID 62414720
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
2-amino-N-cycloheptylbenzenesulfonamide
CID 28590104

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide (CID 62414526) is 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC2)c(N)c1.
What is the InChIKey of 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide?
The InChIKey is RKSZKGFRVDZKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-5-6-11(10(12)7-8)16(14,15)13-9-3-2-4-9/h5-7,9,13H,2-4,12H2,1H3.
What are the key properties of 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide?
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclobutyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 62414526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).