N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride

C15H26ClN3O3S — CID 119498659

IUPACN-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-4-12(3)18-22(20,21)14-7-5-13(6-8-14)15(19)17-10-9-11(2)16;/h5-8,11-12,18H,4,9-10,16H2,1-3H3,(H,17,19);1H
InChIKeyOOVNYVPSKGYUGH-UHFFFAOYSA-N
MW363.91 g/mol
LogP1.65
Rot. Bonds8

About N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride

N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119498659) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119498659
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC NameN-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-4-12(3)18-22(20,21)14-7-5-13(6-8-14)15(19)17-10-9-11(2)16;/h5-8,11-12,18H,4,9-10,16H2,1-3H3,(H,17,19);1H
InChIKeyOOVNYVPSKGYUGH-UHFFFAOYSA-N
XLogP1.65
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119499324
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 46494464
4-(butan-2-ylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 46597927
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278844
N-(3-aminobutyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 119499240
N-(3-amino-3-oxopropyl)-2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 56572924
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride (CID 119498659) is N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is OOVNYVPSKGYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-4-12(3)18-22(20,21)14-7-5-13(6-8-14)15(19)17-10-9-11(2)16;/h5-8,11-12,18H,4,9-10,16H2,1-3H3,(H,17,19);1H.
What are the key properties of N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride?
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119498659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).