5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride

C14H24ClN3O3S — CID 119993235

IUPAC5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-3-4-5-11(9-15)17-21(19,20)12-7-6-10(2)13(8-12)14(16)18;/h6-8,11,17H,3-5,9,15H2,1-2H3,(H2,16,18);1H
InChIKeyREVNRLKPJFYIPR-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.31
Rot. Bonds8

About 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride

5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride (PubChem CID 119993235) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
PubChem CID119993235
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Name5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-3-4-5-11(9-15)17-21(19,20)12-7-6-10(2)13(8-12)14(16)18;/h6-8,11,17H,3-5,9,15H2,1-2H3,(H2,16,18);1H
InChIKeyREVNRLKPJFYIPR-UHFFFAOYSA-N
XLogP1.31
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963
methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate
CID 124616613
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide
CID 119992924
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105
1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
N-(1-aminohexan-2-yl)-3-chloro-4-methoxybenzenesulfonamide;hydrochloride
CID 119993347
N-(1-aminohexan-2-yl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86813393

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride (CID 119993235) is 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc(C)c(C(N)=O)c1.Cl.
What is the InChIKey of 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride?
The InChIKey is REVNRLKPJFYIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-3-4-5-11(9-15)17-21(19,20)12-7-6-10(2)13(8-12)14(16)18;/h6-8,11,17H,3-5,9,15H2,1-2H3,(H2,16,18);1H.
What are the key properties of 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride?
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119993235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).