N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride

C19H26ClN3O4S — CID 119498833

IUPACN-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)N)c2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-3-26-17-9-7-16(8-10-17)22-27(24,25)18-6-4-5-15(13-18)19(23)21-12-11-14(2)20;/h4-10,13-14,22H,3,11-12,20H2,1-2H3,(H,21,23);1H
InChIKeyULOKNBMCTMKPOB-UHFFFAOYSA-N
MW427.95 g/mol
LogP2.78
Rot. Bonds9

About N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride

N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119498833) has the molecular formula C19H26ClN3O4S and a molecular weight of 427.95 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119498833
Molecular FormulaC19H26ClN3O4S
Molecular Weight427.95 g/mol
Exact Mass427.13
IUPAC NameN-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)N)c2)cc1.Cl
InChIInChI=1S/C19H25N3O4S.ClH/c1-3-26-17-9-7-16(8-10-17)22-27(24,25)18-6-4-5-15(13-18)19(23)21-12-11-14(2)20;/h4-10,13-14,22H,3,11-12,20H2,1-2H3,(H,21,23);1H
InChIKeyULOKNBMCTMKPOB-UHFFFAOYSA-N
XLogP2.78
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.95
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
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N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
3-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55944966
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
3-[(4-ethoxyphenyl)sulfamoyl]benzoate
CID 7040417
N-(2-ethoxyethyl)-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzamide
CID 55867643
N-[2-(dimethylamino)-3-phenylpropyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 24542716
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065339
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 47007180
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932643

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride (CID 119498833) is N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride is CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCC(C)N)c2)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is ULOKNBMCTMKPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S.ClH/c1-3-26-17-9-7-16(8-10-17)22-27(24,25)18-6-4-5-15(13-18)19(23)21-12-11-14(2)20;/h4-10,13-14,22H,3,11-12,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride?
N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 427.95 g/mol, XLogP of 2.78, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119498833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).