3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide

C12H17ClN2O2S — CID 82885175

IUPAC3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C12H17ClN2O2S/c1-8-9(7-14)5-10(13)6-12(8)18(16,17)15-11-3-2-4-11/h5-6,11,15H,2-4,7,14H2,1H3
InChIKeyIDDSVISKWWXAKX-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.94
Rot. Bonds4

About 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide

3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide (PubChem CID 82885175) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
PubChem CID82885175
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
SMILESCc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C12H17ClN2O2S/c1-8-9(7-14)5-10(13)6-12(8)18(16,17)15-11-3-2-4-11/h5-6,11,15H,2-4,7,14H2,1H3
InChIKeyIDDSVISKWWXAKX-UHFFFAOYSA-N
XLogP1.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-2-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 106065388
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157
5-chloro-N-cyclobutyl-2-methyl-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82879050
5-chloro-N-cyclopentyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82879252
3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076335
5-chloro-N-cyclopropyl-2-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 82885254
3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089995
3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552033
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
3-(aminomethyl)-5-chloro-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081545
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide (CID 82885175) is 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide is Cc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide?
The InChIKey is IDDSVISKWWXAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-8-9(7-14)5-10(13)6-12(8)18(16,17)15-11-3-2-4-11/h5-6,11,15H,2-4,7,14H2,1H3.
What are the key properties of 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide?
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 82885175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).