N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride

C13H22Cl2N2O3S — CID 119993347

IUPACN-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OC)c(Cl)c1.Cl
InChIInChI=1S/C13H21ClN2O3S.ClH/c1-3-4-5-10(9-15)16-20(17,18)11-6-7-13(19-2)12(14)8-11;/h6-8,10,16H,3-5,9,15H2,1-2H3;1H
InChIKeySIKFBQXFIDRZMA-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.57
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 119993347) has the molecular formula C13H22Cl2N2O3S and a molecular weight of 357.30 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
PubChem CID119993347
Molecular FormulaC13H22Cl2N2O3S
Molecular Weight357.30 g/mol
Exact Mass356.07
IUPAC NameN-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OC)c(Cl)c1.Cl
InChIInChI=1S/C13H21ClN2O3S.ClH/c1-3-4-5-10(9-15)16-20(17,18)11-6-7-13(19-2)12(14)8-11;/h6-8,10,16H,3-5,9,15H2,1-2H3;1H
InChIKeySIKFBQXFIDRZMA-UHFFFAOYSA-N
XLogP2.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate
CID 124616613
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119993030
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-4-(2-methoxyethoxy)benzenesulfonamide;hydrochloride
CID 119993050
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119993235
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119992978

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride (CID 119993347) is N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc(OC)c(Cl)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is SIKFBQXFIDRZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S.ClH/c1-3-4-5-10(9-15)16-20(17,18)11-6-7-13(19-2)12(14)8-11;/h6-8,10,16H,3-5,9,15H2,1-2H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 357.30 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119993347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).