N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride

C17H24ClN3O3S2 — CID 119667025

IUPACN-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl
InChIInChI=1S/C17H23N3O3S2.ClH/c1-2-3-7-15(12-18)19-17(21)13-6-4-8-14(11-13)20-25(22,23)16-9-5-10-24-16;/h4-6,8-11,15,20H,2-3,7,12,18H2,1H3,(H,19,21);1H
InChIKeyIISJFZPQXNWZKB-UHFFFAOYSA-N
MW417.98 g/mol
LogP3.22
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride

N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (PubChem CID 119667025) has the molecular formula C17H24ClN3O3S2 and a molecular weight of 417.98 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
PubChem CID119667025
Molecular FormulaC17H24ClN3O3S2
Molecular Weight417.98 g/mol
Exact Mass417.09
IUPAC NameN-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl
InChIInChI=1S/C17H23N3O3S2.ClH/c1-2-3-7-15(12-18)19-17(21)13-6-4-8-14(11-13)20-25(22,23)16-9-5-10-24-16;/h4-6,8-11,15,20H,2-3,7,12,18H2,1H3,(H,19,21);1H
InChIKeyIISJFZPQXNWZKB-UHFFFAOYSA-N
XLogP3.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-(3-amino-2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119995200
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489
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
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119668693
N-(1-aminohexan-2-yl)-3-[(2-fluorophenyl)sulfamoyl]benzamide;hydrochloride
CID 119666444

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (CID 119667025) is N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is CCCCC(CN)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The InChIKey is IISJFZPQXNWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2.ClH/c1-2-3-7-15(12-18)19-17(21)13-6-4-8-14(11-13)20-25(22,23)16-9-5-10-24-16;/h4-6,8-11,15,20H,2-3,7,12,18H2,1H3,(H,19,21);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119667025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).