N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride

C14H23ClN2O2S — CID 71757234

IUPACN-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-12-5-7-13(8-6-12)19(17,18)16-11-14(15)9-3-2-4-10-14;/h5-8,16H,2-4,9-11,15H2,1H3;1H
InChIKeyZWYHRUYTQSIKLM-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.36
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 71757234) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
PubChem CID71757234
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC NameN-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-12-5-7-13(8-6-12)19(17,18)16-11-14(15)9-3-2-4-10-14;/h5-8,16H,2-4,9-11,15H2,1H3;1H
InChIKeyZWYHRUYTQSIKLM-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
CID 119958825
N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
CID 119958914
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119998528
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride (CID 71757234) is N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is ZWYHRUYTQSIKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-12-5-7-13(8-6-12)19(17,18)16-11-14(15)9-3-2-4-10-14;/h5-8,16H,2-4,9-11,15H2,1H3;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.36, 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]-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 71757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).