3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide

C14H21ClN2O3S — CID 114551861

IUPAC3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCOc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H21ClN2O3S/c1-9-3-4-12(5-9)17-21(18,19)13-7-11(15)6-10(8-16)14(13)20-2/h6-7,9,12,17H,3-5,8,16H2,1-2H3
InChIKeyIPPWGDCMNHEJMT-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.27
Rot. Bonds5

About 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide

3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide (PubChem CID 114551861) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
PubChem CID114551861
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
SMILESCOc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCC(C)C1
InChIInChI=1S/C14H21ClN2O3S/c1-9-3-4-12(5-9)17-21(18,19)13-7-11(15)6-10(8-16)14(13)20-2/h6-7,9,12,17H,3-5,8,16H2,1-2H3
InChIKeyIPPWGDCMNHEJMT-UHFFFAOYSA-N
XLogP2.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552033
3-(aminomethyl)-5-chloro-2-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052686
5-chloro-2-fluoro-3-(hydroxymethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551650
3,5-dichloro-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110758530
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-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053865
3-(aminomethyl)-5-chloro-2-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089995
3-(aminomethyl)-5-chloro-N-(1H-imidazol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 106069749
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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide (CID 114551861) is 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide is COc1c(CN)cc(Cl)cc1S(=O)(=O)NC1CCC(C)C1.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
The InChIKey is IPPWGDCMNHEJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-9-3-4-12(5-9)17-21(18,19)13-7-11(15)6-10(8-16)14(13)20-2/h6-7,9,12,17H,3-5,8,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 114551861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).