N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride

C15H25ClN2O2S — CID 119958873

IUPACN-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2(N)CCCCC2)c(C)c1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-12-6-7-14(13(2)10-12)20(18,19)17-11-15(16)8-4-3-5-9-15;/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3;1H
InChIKeyNYSKBIZLLGVBTH-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.67
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119958873) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119958873
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2(N)CCCCC2)c(C)c1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-12-6-7-14(13(2)10-12)20(18,19)17-11-15(16)8-4-3-5-9-15;/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3;1H
InChIKeyNYSKBIZLLGVBTH-UHFFFAOYSA-N
XLogP2.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119998528
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 120998687
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocyclohexyl)methyl]-2,4-difluorobenzenesulfonamide;hydrochloride
CID 119958843
N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide
CID 120874313
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride (CID 119958873) is N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCC2(N)CCCCC2)c(C)c1.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is NYSKBIZLLGVBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-12-6-7-14(13(2)10-12)20(18,19)17-11-15(16)8-4-3-5-9-15;/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119958873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).