N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C24H24ClN3O3S — CID 43071922

IUPACN-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C24H24ClN3O3S/c25-21-10-8-19(9-11-21)23(18-5-2-1-3-6-18)27-24(29)20-12-15-28(16-13-20)32(30,31)22-7-4-14-26-17-22/h1-11,14,17,20,23H,12-13,15-16H2,(H,27,29)
InChIKeyCFEFWJQXGGJGMW-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.04
Rot. Bonds6

About N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 43071922) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID43071922
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C24H24ClN3O3S/c25-21-10-8-19(9-11-21)23(18-5-2-1-3-6-18)27-24(29)20-12-15-28(16-13-20)32(30,31)22-7-4-14-26-17-22/h1-11,14,17,20,23H,12-13,15-16H2,(H,27,29)
InChIKeyCFEFWJQXGGJGMW-UHFFFAOYSA-N
XLogP4.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55807191
1-(benzenesulfonyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 25411571
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603422
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 43067431
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 43071922) is N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is O=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CFEFWJQXGGJGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c25-21-10-8-19(9-11-21)23(18-5-2-1-3-6-18)27-24(29)20-12-15-28(16-13-20)32(30,31)22-7-4-14-26-17-22/h1-11,14,17,20,23H,12-13,15-16H2,(H,27,29).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 43071922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).