3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide

C13H19ClN2O2S — CID 107091648

IUPAC3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CC(C)C2)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-9-5-11(6-9)16-19(17,18)12-4-3-10(8-15-2)13(14)7-12/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3
InChIKeyOQFWIMUNQQALIA-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.14
Rot. Bonds5

About 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide

3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide (PubChem CID 107091648) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
PubChem CID107091648
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CC(C)C2)cc1Cl
InChIInChI=1S/C13H19ClN2O2S/c1-9-5-11(6-9)16-19(17,18)12-4-3-10(8-15-2)13(14)7-12/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3
InChIKeyOQFWIMUNQQALIA-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)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-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
3-chloro-N-(2,3-dimethylcyclopentyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106069106
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 107091667
1-[2-chloro-4-(2,5-dimethylpiperidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 107091546
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide (CID 107091648) is 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC2CC(C)C2)cc1Cl.
What is the InChIKey of 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide?
The InChIKey is OQFWIMUNQQALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-5-11(6-9)16-19(17,18)12-4-3-10(8-15-2)13(14)7-12/h3-4,7,9,11,15-16H,5-6,8H2,1-2H3.
What are the key properties of 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide?
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 107091648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).