N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide

C22H21ClF2N4O3S — CID 55480734

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H21ClF2N4O3S/c1-14-11-21(29(27-14)18-4-2-3-16(23)12-18)26-22(30)15-7-9-28(10-8-15)33(31,32)20-13-17(24)5-6-19(20)25/h2-6,11-13,15H,7-10H2,1H3,(H,26,30)
InChIKeyMKCZDGPODUUTQH-UHFFFAOYSA-N
MW494.95 g/mol
LogP4.15
Rot. Bonds5

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55480734) has the molecular formula C22H21ClF2N4O3S and a molecular weight of 494.95 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55480734
Molecular FormulaC22H21ClF2N4O3S
Molecular Weight494.95 g/mol
Exact Mass494.10
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H21ClF2N4O3S/c1-14-11-21(29(27-14)18-4-2-3-16(23)12-18)26-22(30)15-7-9-28(10-8-15)33(31,32)20-13-17(24)5-6-19(20)25/h2-6,11-13,15H,7-10H2,1H3,(H,26,30)
InChIKeyMKCZDGPODUUTQH-UHFFFAOYSA-N
XLogP4.15
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.95
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide (CID 55480734) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MKCZDGPODUUTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N4O3S/c1-14-11-21(29(27-14)18-4-2-3-16(23)12-18)26-22(30)15-7-9-28(10-8-15)33(31,32)20-13-17(24)5-6-19(20)25/h2-6,11-13,15H,7-10H2,1H3,(H,26,30).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 494.95 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55480734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).