N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride

C13H23ClN2O2S — CID 119992961

IUPACN-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-3-4-5-12(10-14)15-18(16,17)13-8-6-11(2)7-9-13;/h6-9,12,15H,3-5,10,14H2,1-2H3;1H
InChIKeyXEOGWDGDTFMGGF-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.21
Rot. Bonds7

About N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 119992961) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
PubChem CID119992961
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC NameN-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-3-4-5-12(10-14)15-18(16,17)13-8-6-11(2)7-9-13;/h6-9,12,15H,3-5,10,14H2,1-2H3;1H
InChIKeyXEOGWDGDTFMGGF-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
4-N-(1-aminohexan-2-yl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119993234
N-(1-aminohexan-2-yl)-4-(butylsulfonylamino)benzenesulfonamide;hydrochloride
CID 119993076
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride (CID 119992961) is N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc(C)cc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is XEOGWDGDTFMGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c1-3-4-5-12(10-14)15-18(16,17)13-8-6-11(2)7-9-13;/h6-9,12,15H,3-5,10,14H2,1-2H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119992961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).