N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride

C12H21ClN2O2S — CID 119993034

IUPACN-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-2-3-7-11(10-13)14-17(15,16)12-8-5-4-6-9-12;/h4-6,8-9,11,14H,2-3,7,10,13H2,1H3;1H
InChIKeyYXZZSDAHCCAXMX-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.90
Rot. Bonds7

About N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride (PubChem CID 119993034) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
PubChem CID119993034
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC NameN-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-2-3-7-11(10-13)14-17(15,16)12-8-5-4-6-9-12;/h4-6,8-9,11,14H,2-3,7,10,13H2,1H3;1H
InChIKeyYXZZSDAHCCAXMX-UHFFFAOYSA-N
XLogP1.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-nonan-4-ylbenzenesulfonamide
CID 174769116
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
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride (CID 119993034) is N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride?
The InChIKey is YXZZSDAHCCAXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-2-3-7-11(10-13)14-17(15,16)12-8-5-4-6-9-12;/h4-6,8-9,11,14H,2-3,7,10,13H2,1H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.90, 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)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).