N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

C22H21Cl2FN4O3S — CID 19336122

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21Cl2FN4O3S/c23-17-2-5-20(6-3-17)33(31,32)29-9-7-15(8-10-29)22(30)27-19-12-26-28(14-19)13-16-1-4-18(25)11-21(16)24/h1-6,11-12,14-15H,7-10,13H2,(H,27,30)
InChIKeyAUPALKZUSMTMFZ-UHFFFAOYSA-N
MW511.41 g/mol
LogP4.42
Rot. Bonds6

About N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 19336122) has the molecular formula C22H21Cl2FN4O3S and a molecular weight of 511.41 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID19336122
Molecular FormulaC22H21Cl2FN4O3S
Molecular Weight511.41 g/mol
Exact Mass510.07
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H21Cl2FN4O3S/c23-17-2-5-20(6-3-17)33(31,32)29-9-7-15(8-10-29)22(30)27-19-12-26-28(14-19)13-16-1-4-18(25)11-21(16)24/h1-6,11-12,14-15H,7-10,13H2,(H,27,30)
InChIKeyAUPALKZUSMTMFZ-UHFFFAOYSA-N
XLogP4.42
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 19411726
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19411725
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650
1-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide
CID 18170489
2,4-dichloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19336081
1-(4-chlorophenyl)sulfonyl-N-(5-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 2683625
N-(4-chloro-3-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55796487
1-(4-chlorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 19285252
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19336125
1-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 2668514
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100686065
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327118

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (CID 19336122) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is AUPALKZUSMTMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2FN4O3S/c23-17-2-5-20(6-3-17)33(31,32)29-9-7-15(8-10-29)22(30)27-19-12-26-28(14-19)13-16-1-4-18(25)11-21(16)24/h1-6,11-12,14-15H,7-10,13H2,(H,27,30).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 511.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19336122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).