N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide

C14H21ClN2O3S — CID 119986168

IUPACN-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC2CCCCC2CN)c1
InChIInChI=1S/C14H21ClN2O3S/c1-20-11-6-7-12(15)14(8-11)21(18,19)17-13-5-3-2-4-10(13)9-16/h6-8,10,13,17H,2-5,9,16H2,1H3
InChIKeyWOMTYUHZEACXGZ-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide

N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide (PubChem CID 119986168) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
PubChem CID119986168
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC2CCCCC2CN)c1
InChIInChI=1S/C14H21ClN2O3S/c1-20-11-6-7-12(15)14(8-11)21(18,19)17-13-5-3-2-4-10(13)9-16/h6-8,10,13,17H,2-5,9,16H2,1H3
InChIKeyWOMTYUHZEACXGZ-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 124690418
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
CID 119983634
methyl 4-[[(1R,2S)-2-(aminomethyl)cyclohexyl]sulfamoyl]-2-chlorobenzoate
CID 124687158
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119985656
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386
N-[2-(aminomethyl)cyclohexyl]-4-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119986269
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
N-[2-(aminomethyl)cyclopentyl]-4-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119985581

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide (CID 119986168) is N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide is COc1ccc(Cl)c(S(=O)(=O)NC2CCCCC2CN)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide?
The InChIKey is WOMTYUHZEACXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-20-11-6-7-12(15)14(8-11)21(18,19)17-13-5-3-2-4-10(13)9-16/h6-8,10,13,17H,2-5,9,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide?
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide is sourced from PubChem (CID 119986168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).