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

C13H19Cl2N3O2S — CID 120875562

IUPACN-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C#N)cc1Cl.Cl
InChIInChI=1S/C13H18ClN3O2S.ClH/c1-2-3-4-11(9-16)17-20(18,19)13-6-5-10(8-15)7-12(13)14;/h5-7,11,17H,2-4,9,16H2,1H3;1H
InChIKeyMGYZPLKNWRJRLI-UHFFFAOYSA-N
MW352.29 g/mol
LogP2.43
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride (PubChem CID 120875562) has the molecular formula C13H19Cl2N3O2S and a molecular weight of 352.29 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride
PubChem CID120875562
Molecular FormulaC13H19Cl2N3O2S
Molecular Weight352.29 g/mol
Exact Mass351.06
IUPAC NameN-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C#N)cc1Cl.Cl
InChIInChI=1S/C13H18ClN3O2S.ClH/c1-2-3-4-11(9-16)17-20(18,19)13-6-5-10(8-15)7-12(13)14;/h5-7,11,17H,2-4,9,16H2,1H3;1H
InChIKeyMGYZPLKNWRJRLI-UHFFFAOYSA-N
XLogP2.43
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-cyano-N-(1-hydroxypentan-3-yl)benzenesulfonamide
CID 103989511
2-chloro-4-cyano-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 103990107
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-(1-aminohexan-2-yl)-1-(4-cyanophenyl)methanesulfonamide
CID 80697698
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(2-butoxyethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989243
2-chloro-4-cyano-N-[(2S)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 103989875
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
N-(1-aminohexan-2-yl)-2-cyano-3-fluorobenzenesulfonamide
CID 80696719
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride (CID 120875562) is N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc(C#N)cc1Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride?
The InChIKey is MGYZPLKNWRJRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2S.ClH/c1-2-3-4-11(9-16)17-20(18,19)13-6-5-10(8-15)7-12(13)14;/h5-7,11,17H,2-4,9,16H2,1H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride has a molecular weight of 352.29 g/mol, XLogP of 2.43, 7 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)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120875562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).