N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride

C18H24ClN3O3S — CID 119497312

IUPACN-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-14(19)10-11-20-18(22)16-8-5-9-17(12-16)25(23,24)21-13-15-6-3-2-4-7-15;/h2-9,12,14,21H,10-11,13,19H2,1H3,(H,20,22);1H
InChIKeyQHNJMZKGAAORRE-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.05
Rot. Bonds8

About N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride

N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride (PubChem CID 119497312) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
PubChem CID119497312
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-14(19)10-11-20-18(22)16-8-5-9-17(12-16)25(23,24)21-13-15-6-3-2-4-7-15;/h2-9,12,14,21H,10-11,13,19H2,1H3,(H,20,22);1H
InChIKeyQHNJMZKGAAORRE-UHFFFAOYSA-N
XLogP2.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770474
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
3-(benzylsulfamoyl)-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 37270914
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
CID 119498833
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride (CID 119497312) is N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride is CC(N)CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride?
The InChIKey is QHNJMZKGAAORRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-14(19)10-11-20-18(22)16-8-5-9-17(12-16)25(23,24)21-13-15-6-3-2-4-7-15;/h2-9,12,14,21H,10-11,13,19H2,1H3,(H,20,22);1H.
What are the key properties of N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride?
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119497312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).