N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide

C13H21ClN2O3S — CID 80697849

IUPACN-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C13H21ClN2O3S/c1-3-4-5-11(9-15)16-20(17,18)13-7-6-10(14)8-12(13)19-2/h6-8,11,16H,3-5,9,15H2,1-2H3
InChIKeySKMUONUDJPURIU-UHFFFAOYSA-N
MW320.84 g/mol
LogP2.14
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide (PubChem CID 80697849) has the molecular formula C13H21ClN2O3S and a molecular weight of 320.84 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
PubChem CID80697849
Molecular FormulaC13H21ClN2O3S
Molecular Weight320.84 g/mol
Exact Mass320.10
IUPAC NameN-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(Cl)cc1OC
InChIInChI=1S/C13H21ClN2O3S/c1-3-4-5-11(9-15)16-20(17,18)13-7-6-10(14)8-12(13)19-2/h6-8,11,16H,3-5,9,15H2,1-2H3
InChIKeySKMUONUDJPURIU-UHFFFAOYSA-N
XLogP2.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide
CID 120710742
N-(1-amino-4-methylpentan-2-yl)-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120710741
N-(1-aminohexan-2-yl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119993030
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119992978
4-chloro-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 115477790
N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
N-(1-aminohexan-2-yl)-2-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 120875562
methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate
CID 124616613
methyl 5-(1-aminohexan-2-ylsulfamoyl)-4-methoxythiophene-2-carboxylate
CID 119993207

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide (CID 80697849) is N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc(Cl)cc1OC.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide?
The InChIKey is SKMUONUDJPURIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S/c1-3-4-5-11(9-15)16-20(17,18)13-7-6-10(14)8-12(13)19-2/h6-8,11,16H,3-5,9,15H2,1-2H3.
What are the key properties of N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide?
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide has a molecular weight of 320.84 g/mol, XLogP of 2.14, 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)-4-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 80697849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).