N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride

C13H20Cl2N2O2S — CID 119970980

IUPACN-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-9-8-10(14)2-7-13(9)19(17,18)16-12-5-3-11(15)4-6-12;/h2,7-8,11-12,16H,3-6,15H2,1H3;1H
InChIKeyIWRBBBOHSBFZNK-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.62
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride

N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119970980) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119970980
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC NameN-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-9-8-10(14)2-7-13(9)19(17,18)16-12-5-3-11(15)4-6-12;/h2,7-8,11-12,16H,3-6,15H2,1H3;1H
InChIKeyIWRBBBOHSBFZNK-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808405
N-(4-aminocyclohexyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119970709
4-chloro-2-methyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723768
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
CID 126779567
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
N-(4-aminocyclohexyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 119970503
methyl 3-[(4-aminocyclohexyl)sulfamoyl]-4-methylbenzoate;hydrochloride
CID 119970907
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652
N-(4-aminocyclohexyl)-5-bromo-2-methylthiophene-3-sulfonamide;hydrochloride
CID 119970502
cis-(1R,3S)-3-[(5-chloro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321490

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride (CID 119970980) is N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride is Cc1cc(Cl)ccc1S(=O)(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is IWRBBBOHSBFZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S.ClH/c1-9-8-10(14)2-7-13(9)19(17,18)16-12-5-3-11(15)4-6-12;/h2,7-8,11-12,16H,3-6,15H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-chloro-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119970980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).