N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

C16H19ClN4O3S — CID 20958688

IUPACN-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C16H19ClN4O3S/c1-20-10-15(18-11-20)25(23,24)21-8-6-12(7-9-21)16(22)19-14-4-2-13(17)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,19,22)
InChIKeyMHXKJMJOTYFGRP-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.11
Rot. Bonds4

About N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 20958688) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID20958688
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC NameN-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C16H19ClN4O3S/c1-20-10-15(18-11-20)25(23,24)21-8-6-12(7-9-21)16(22)19-14-4-2-13(17)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,19,22)
InChIKeyMHXKJMJOTYFGRP-UHFFFAOYSA-N
XLogP2.11
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 20958688) is N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is Cn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MHXKJMJOTYFGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-20-10-15(18-11-20)25(23,24)21-8-6-12(7-9-21)16(22)19-14-4-2-13(17)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20958688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).