1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide

C23H23ClN4O4S — CID 24622651

IUPAC1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H23ClN4O4S/c1-27-14-12-25-22(27)21(29)16-4-8-19(9-5-16)26-23(30)17-3-2-13-28(15-17)33(31,32)20-10-6-18(24)7-11-20/h4-12,14,17H,2-3,13,15H2,1H3,(H,26,30)
InChIKeyNSOIFCYMOJVHCK-UHFFFAOYSA-N
MW486.98 g/mol
LogP3.34
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide (PubChem CID 24622651) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide
PubChem CID24622651
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H23ClN4O4S/c1-27-14-12-25-22(27)21(29)16-4-8-19(9-5-16)26-23(30)17-3-2-13-28(15-17)33(31,32)20-10-6-18(24)7-11-20/h4-12,14,17H,2-3,13,15H2,1H3,(H,26,30)
InChIKeyNSOIFCYMOJVHCK-UHFFFAOYSA-N
XLogP3.34
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 126381630
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3R)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 30331284
(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
(3S)-N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1078490
1-(4-chlorophenyl)sulfonyl-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-3-carboxamide
CID 55786168
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide (CID 24622651) is 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide is Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide?
The InChIKey is NSOIFCYMOJVHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c1-27-14-12-25-22(27)21(29)16-4-8-19(9-5-16)26-23(30)17-3-2-13-28(15-17)33(31,32)20-10-6-18(24)7-11-20/h4-12,14,17H,2-3,13,15H2,1H3,(H,26,30).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide has a molecular weight of 486.98 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24622651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).