N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride

C19H25ClFN3O3S — CID 119666444

IUPACN-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.Cl
InChIInChI=1S/C19H24FN3O3S.ClH/c1-2-3-8-15(13-21)22-19(24)14-7-6-9-16(12-14)27(25,26)23-18-11-5-4-10-17(18)20;/h4-7,9-12,15,23H,2-3,8,13,21H2,1H3,(H,22,24);1H
InChIKeyCQMGXJXXHARRQF-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.30
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride (PubChem CID 119666444) has the molecular formula C19H25ClFN3O3S and a molecular weight of 429.95 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride
PubChem CID119666444
Molecular FormulaC19H25ClFN3O3S
Molecular Weight429.95 g/mol
Exact Mass429.13
IUPAC NameN-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.Cl
InChIInChI=1S/C19H24FN3O3S.ClH/c1-2-3-8-15(13-21)22-19(24)14-7-6-9-16(12-14)27(25,26)23-18-11-5-4-10-17(18)20;/h4-7,9-12,15,23H,2-3,8,13,21H2,1H3,(H,22,24);1H
InChIKeyCQMGXJXXHARRQF-UHFFFAOYSA-N
XLogP3.30
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)sulfamoyl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40790769
3-[(2-fluorophenyl)sulfamoyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 40790771
3-[(2-fluorophenyl)sulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78856698
N-(1-aminohexan-2-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 119668039
3-[(2-fluorophenyl)sulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132667869
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride (CID 119666444) is N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride is CCCCC(CN)NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride?
The InChIKey is CQMGXJXXHARRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S.ClH/c1-2-3-8-15(13-21)22-19(24)14-7-6-9-16(12-14)27(25,26)23-18-11-5-4-10-17(18)20;/h4-7,9-12,15,23H,2-3,8,13,21H2,1H3,(H,22,24);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 3.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 119666444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).