3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide

C13H18Cl2N2O2S — CID 114552033

IUPAC3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(Cl)cc(CN)c2Cl)C1
InChIInChI=1S/C13H18Cl2N2O2S/c1-8-2-3-11(4-8)17-20(18,19)12-6-10(14)5-9(7-16)13(12)15/h5-6,8,11,17H,2-4,7,16H2,1H3
InChIKeyMEEJIIDOBHVKCI-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.92
Rot. Bonds4

About 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide

3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114552033) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114552033
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(Cl)cc(CN)c2Cl)C1
InChIInChI=1S/C13H18Cl2N2O2S/c1-8-2-3-11(4-8)17-20(18,19)12-6-10(14)5-9(7-16)13(12)15/h5-6,8,11,17H,2-4,7,16H2,1H3
InChIKeyMEEJIIDOBHVKCI-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551861
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551650
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500
3-(aminomethyl)-5-chloro-N-cyclopentyl-2-methylbenzenesulfonamide
CID 82884640
3-(aminomethyl)-5-chloro-N-cyclobutyl-2-methylbenzenesulfonamide
CID 82885175
3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089995
2,5-dichloro-3-(hydroxymethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106000226
3-(aminomethyl)-5-chloro-2-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 106065388
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
[2,5-dichloro-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]methanamine
CID 104969170
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076335

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114552033) is 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide is CC1CCC(NS(=O)(=O)c2cc(Cl)cc(CN)c2Cl)C1.
What is the InChIKey of 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is MEEJIIDOBHVKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-8-2-3-11(4-8)17-20(18,19)12-6-10(14)5-9(7-16)13(12)15/h5-6,8,11,17H,2-4,7,16H2,1H3.
What are the key properties of 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide?
3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114552033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).