N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

C23H28ClN3O3S — CID 46349213

IUPACN-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H28ClN3O3S/c24-19-8-7-9-20(17-19)25-23(28)18-10-11-21(26-12-3-1-4-13-26)22(16-18)31(29,30)27-14-5-2-6-15-27/h7-11,16-17H,1-6,12-15H2,(H,25,28)
InChIKeyHCFRWRDFZTYPKX-UHFFFAOYSA-N
MW462.02 g/mol
LogP4.76
Rot. Bonds5

About N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 46349213) has the molecular formula C23H28ClN3O3S and a molecular weight of 462.02 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID46349213
Molecular FormulaC23H28ClN3O3S
Molecular Weight462.02 g/mol
Exact Mass461.15
IUPAC NameN-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H28ClN3O3S/c24-19-8-7-9-20(17-19)25-23(28)18-10-11-21(26-12-3-1-4-13-26)22(16-18)31(29,30)27-14-5-2-6-15-27/h7-11,16-17H,1-6,12-15H2,(H,25,28)
InChIKeyHCFRWRDFZTYPKX-UHFFFAOYSA-N
XLogP4.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.02
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 34832529
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
N-(4-chloro-2-fluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349261
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008
N-(5-chloro-2-methoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349259
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide
CID 55784082
N-(3-acetamido-2-methylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24673353
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
CID 24538191
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (CID 46349213) is N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HCFRWRDFZTYPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3S/c24-19-8-7-9-20(17-19)25-23(28)18-10-11-21(26-12-3-1-4-13-26)22(16-18)31(29,30)27-14-5-2-6-15-27/h7-11,16-17H,1-6,12-15H2,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 462.02 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46349213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).