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

C13H22BrClN2O3S — CID 120712542

IUPACN-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OC)cc1Br.Cl
InChIInChI=1S/C13H21BrN2O3S.ClH/c1-3-4-5-10(9-15)16-20(17,18)13-7-6-11(19-2)8-12(13)14;/h6-8,10,16H,3-5,9,15H2,1-2H3;1H
InChIKeyUTXIMIMZNQAUTG-UHFFFAOYSA-N
MW401.75 g/mol
LogP2.68
Rot. Bonds8

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

N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 120712542) has the molecular formula C13H22BrClN2O3S and a molecular weight of 401.75 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
PubChem CID120712542
Molecular FormulaC13H22BrClN2O3S
Molecular Weight401.75 g/mol
Exact Mass400.02
IUPAC NameN-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(OC)cc1Br.Cl
InChIInChI=1S/C13H21BrN2O3S.ClH/c1-3-4-5-10(9-15)16-20(17,18)13-7-6-11(19-2)8-12(13)14;/h6-8,10,16H,3-5,9,15H2,1-2H3;1H
InChIKeyUTXIMIMZNQAUTG-UHFFFAOYSA-N
XLogP2.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.75
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2,4-dibromobenzenesulfonamide
CID 80698004
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119992978
N-(1-aminohexan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 119992979
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
N-(1-aminohexan-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 80697849
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 65193170
N-(1-aminopentan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 65193073
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 80697783
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)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120712533

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride (CID 120712542) is N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc(OC)cc1Br.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is UTXIMIMZNQAUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S.ClH/c1-3-4-5-10(9-15)16-20(17,18)13-7-6-11(19-2)8-12(13)14;/h6-8,10,16H,3-5,9,15H2,1-2H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 401.75 g/mol, XLogP of 2.68, 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)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).