N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C21H25ClN4O4S — CID 55807191

IUPACN-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25ClN4O4S/c1-14(2)24-21(28)18-6-5-16(22)12-19(18)25-20(27)15-7-10-26(11-8-15)31(29,30)17-4-3-9-23-13-17/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCRLUNQLWZFZWAH-UHFFFAOYSA-N
MW464.98 g/mol
LogP2.91
Rot. Bonds6

About N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 55807191) has the molecular formula C21H25ClN4O4S and a molecular weight of 464.98 g/mol. Its IUPAC name is N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID55807191
Molecular FormulaC21H25ClN4O4S
Molecular Weight464.98 g/mol
Exact Mass464.13
IUPAC NameN-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C21H25ClN4O4S/c1-14(2)24-21(28)18-6-5-16(22)12-19(18)25-20(27)15-7-10-26(11-8-15)31(29,30)17-4-3-9-23-13-17/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCRLUNQLWZFZWAH-UHFFFAOYSA-N
XLogP2.91
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
N-(3,4-difluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 40637703
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851605
1-(4-methylphenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 100648054
2,5-dichloro-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzamide
CID 90521613
1-pyridin-3-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 20851608
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 55807191) is N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CRLUNQLWZFZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O4S/c1-14(2)24-21(28)18-6-5-16(22)12-19(18)25-20(27)15-7-10-26(11-8-15)31(29,30)17-4-3-9-23-13-17/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 464.98 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55807191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).