N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride

C19H26ClN3O3S — CID 119498678

IUPACN-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC(C)N)cc2)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-14-4-10-18(11-5-14)26(24,25)22(3)17-8-6-16(7-9-17)19(23)21-13-12-15(2)20;/h4-11,15H,12-13,20H2,1-3H3,(H,21,23);1H
InChIKeyLTXLLIMJLMPUQA-UHFFFAOYSA-N
MW411.96 g/mol
LogP2.71
Rot. Bonds7

About N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride

N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride (PubChem CID 119498678) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
PubChem CID119498678
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC(C)N)cc2)cc1.Cl
InChIInChI=1S/C19H25N3O3S.ClH/c1-14-4-10-18(11-5-14)26(24,25)22(3)17-8-6-16(7-9-17)19(23)21-13-12-15(2)20;/h4-11,15H,12-13,20H2,1-3H3,(H,21,23);1H
InChIKeyLTXLLIMJLMPUQA-UHFFFAOYSA-N
XLogP2.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-(3-aminobutyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119499324
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
N-(3-methylbutyl)-5-[methyl-(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 50795489
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 24538311
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126175134
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 41378820
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55660302

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride (CID 119498678) is N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC(C)N)cc2)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride?
The InChIKey is LTXLLIMJLMPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S.ClH/c1-14-4-10-18(11-5-14)26(24,25)22(3)17-8-6-16(7-9-17)19(23)21-13-12-15(2)20;/h4-11,15H,12-13,20H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride?
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride has a molecular weight of 411.96 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride is sourced from PubChem (CID 119498678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).