N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride

C13H22BrClN2O2S — CID 120712533

IUPACN-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1cc(C)cc(Br)c1.Cl
InChIInChI=1S/C13H21BrN2O2S.ClH/c1-3-4-5-12(9-15)16-19(17,18)13-7-10(2)6-11(14)8-13;/h6-8,12,16H,3-5,9,15H2,1-2H3;1H
InChIKeyICJFEAIXCADTMT-UHFFFAOYSA-N
MW385.76 g/mol
LogP2.98
Rot. Bonds7

About N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride

N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride (PubChem CID 120712533) has the molecular formula C13H22BrClN2O2S and a molecular weight of 385.76 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
PubChem CID120712533
Molecular FormulaC13H22BrClN2O2S
Molecular Weight385.76 g/mol
Exact Mass384.03
IUPAC NameN-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1cc(C)cc(Br)c1.Cl
InChIInChI=1S/C13H21BrN2O2S.ClH/c1-3-4-5-12(9-15)16-19(17,18)13-7-10(2)6-11(14)8-13;/h6-8,12,16H,3-5,9,15H2,1-2H3;1H
InChIKeyICJFEAIXCADTMT-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 52.98
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-[(2S)-1-aminopropan-2-yl]-3-bromo-5-methylbenzenesulfonamide;hydrochloride
CID 120713137
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
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
N-(1-aminohexan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 80697783
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119993235
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride (CID 120712533) is N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1cc(C)cc(Br)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride?
The InChIKey is ICJFEAIXCADTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O2S.ClH/c1-3-4-5-12(9-15)16-19(17,18)13-7-10(2)6-11(14)8-13;/h6-8,12,16H,3-5,9,15H2,1-2H3;1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-bromo-5-methylbenzenesulfonamide;hydrochloride has a molecular weight of 385.76 g/mol, XLogP of 2.98, 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)-3-bromo-5-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).