3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride

C19H30ClN3O4S — CID 119426236

IUPAC3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC2CCCNC2)cc1S(=O)(=O)N1CCCCCC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-26-17-9-8-15(19(23)21-16-7-6-10-20-14-16)13-18(17)27(24,25)22-11-4-2-3-5-12-22;/h8-9,13,16,20H,2-7,10-12,14H2,1H3,(H,21,23);1H
InChIKeyAMCIPXCGNWMDES-UHFFFAOYSA-N
MW431.99 g/mol
LogP2.16
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride

3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119426236) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119426236
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC Name3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC2CCCNC2)cc1S(=O)(=O)N1CCCCCC1.Cl
InChIInChI=1S/C19H29N3O4S.ClH/c1-26-17-9-8-15(19(23)21-16-7-6-10-20-14-16)13-18(17)27(24,25)22-11-4-2-3-5-12-22;/h8-9,13,16,20H,2-7,10-12,14H2,1H3,(H,21,23);1H
InChIKeyAMCIPXCGNWMDES-UHFFFAOYSA-N
XLogP2.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 119462339
3-(azepan-1-ylsulfonyl)-N-(4-ethylcyclohexyl)-4-methoxybenzamide
CID 112816421
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450981
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 26880737
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428202

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride (CID 119426236) is 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride is COc1ccc(C(=O)NC2CCCNC2)cc1S(=O)(=O)N1CCCCCC1.Cl.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is AMCIPXCGNWMDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S.ClH/c1-26-17-9-8-15(19(23)21-16-7-6-10-20-14-16)13-18(17)27(24,25)22-11-4-2-3-5-12-22;/h8-9,13,16,20H,2-7,10-12,14H2,1H3,(H,21,23);1H.
What are the key properties of 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride?
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119426236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).