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

C23H22ClN3O3S — CID 5182055

IUPAC2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1ccccc1Cl
InChIInChI=1S/C23H22ClN3O3S/c24-21-8-2-1-7-20(21)23(28)26-18-10-12-19(13-11-18)31(29,30)27-15-4-3-9-22(27)17-6-5-14-25-16-17/h1-2,5-8,10-14,16,22H,3-4,9,15H2,(H,26,28)
InChIKeyOXWPOXBLWAKTLY-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.90
Rot. Bonds5

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

2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (PubChem CID 5182055) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
PubChem CID5182055
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1ccccc1Cl
InChIInChI=1S/C23H22ClN3O3S/c24-21-8-2-1-7-20(21)23(28)26-18-10-12-19(13-11-18)31(29,30)27-15-4-3-9-22(27)17-6-5-14-25-16-17/h1-2,5-8,10-14,16,22H,3-4,9,15H2,(H,26,28)
InChIKeyOXWPOXBLWAKTLY-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 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide (CID 5182055) is 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is OXWPOXBLWAKTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-21-8-2-1-7-20(21)23(28)26-18-10-12-19(13-11-18)31(29,30)27-15-4-3-9-22(27)17-6-5-14-25-16-17/h1-2,5-8,10-14,16,22H,3-4,9,15H2,(H,26,28).
What are the key properties of 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide?
2-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 2-chloro-N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 5182055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).