N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride

C15H24ClN3O3S — CID 119382891

IUPACN-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H23N3O3S.ClH/c16-8-9-17-15(19)13-6-5-7-14(12-13)22(20,21)18-10-3-1-2-4-11-18;/h5-7,12H,1-4,8-11,16H2,(H,17,19);1H
InChIKeyXUOXZAMUERAVDV-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.36
Rot. Bonds5

About N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride

N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride (PubChem CID 119382891) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
PubChem CID119382891
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC NameN-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C15H23N3O3S.ClH/c16-8-9-17-15(19)13-6-5-7-14(12-13)22(20,21)18-10-3-1-2-4-11-18;/h5-7,12H,1-4,8-11,16H2,(H,17,19);1H
InChIKeyXUOXZAMUERAVDV-UHFFFAOYSA-N
XLogP1.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-amino-2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
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CID 2329054
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N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
N-(2-amino-2-ethylbutyl)-3-(azepan-1-ylsulfonyl)benzamide
CID 119640716
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
3-(azepan-1-ylsulfonyl)-N-[3-(N-methylanilino)propyl]benzamide
CID 26178010

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride (CID 119382891) is N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride is Cl.NCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride?
The InChIKey is XUOXZAMUERAVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c16-8-9-17-15(19)13-6-5-7-14(12-13)22(20,21)18-10-3-1-2-4-11-18;/h5-7,12H,1-4,8-11,16H2,(H,17,19);1H.
What are the key properties of N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride?
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride is sourced from PubChem (CID 119382891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).