4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide

C23H22ClN3O3S — CID 3622150

IUPAC4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O3S/c24-19-8-6-17(7-9-19)23(28)26-20-10-12-21(13-11-20)31(29,30)27-15-2-1-5-22(27)18-4-3-14-25-16-18/h3-4,6-14,16,22H,1-2,5,15H2,(H,26,28)
InChIKeyNZELNRVWASQASC-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.90
Rot. Bonds5

About 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide

4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 3622150) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID3622150
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O3S/c24-19-8-6-17(7-9-19)23(28)26-20-10-12-21(13-11-20)31(29,30)27-15-2-1-5-22(27)18-4-3-14-25-16-18/h3-4,6-14,16,22H,1-2,5,15H2,(H,26,28)
InChIKeyNZELNRVWASQASC-UHFFFAOYSA-N
XLogP4.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 3622150) is 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is NZELNRVWASQASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-19-8-6-17(7-9-19)23(28)26-20-10-12-21(13-11-20)31(29,30)27-15-2-1-5-22(27)18-4-3-14-25-16-18/h3-4,6-14,16,22H,1-2,5,15H2,(H,26,28).
What are the key properties of 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 455.97 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 3622150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).