4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide

C22H20Cl2FN5O4S — CID 59862699

IUPAC4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H20Cl2FN5O4S/c23-16-2-1-3-17(24)19(16)21(31)28-18-12-26-29-20(18)22(32)27-14-8-10-30(11-9-14)35(33,34)15-6-4-13(25)5-7-15/h1-7,12,14H,8-11H2,(H,26,29)(H,27,32)(H,28,31)
InChIKeyLXUGJPSAFHWYAH-UHFFFAOYSA-N
MW540.40 g/mol
LogP3.69
Rot. Bonds6

About 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 59862699) has the molecular formula C22H20Cl2FN5O4S and a molecular weight of 540.40 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID59862699
Molecular FormulaC22H20Cl2FN5O4S
Molecular Weight540.40 g/mol
Exact Mass539.06
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H20Cl2FN5O4S/c23-16-2-1-3-17(24)19(16)21(31)28-18-12-26-29-20(18)22(32)27-14-8-10-30(11-9-14)35(33,34)15-6-4-13(25)5-7-15/h1-7,12,14H,8-11H2,(H,26,29)(H,27,32)(H,28,31)
InChIKeyLXUGJPSAFHWYAH-UHFFFAOYSA-N
XLogP3.69
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.40
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

bis(4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide);methane
CID 160548828
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862729
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862674
N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59862752
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862673
4-[(2-bromo-6-chlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 59862708
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]acetic acid
CID 155229791
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167676
ethyl 4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 11719428
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167716
N-[(3R)-1-[3-[[(E)-but-2-enoyl]amino]phenyl]sulfonylpyrrolidin-3-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155548645
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]-3,3-dimethylbutanoic acid
CID 175068549

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 59862699) is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is LXUGJPSAFHWYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2FN5O4S/c23-16-2-1-3-17(24)19(16)21(31)28-18-12-26-29-20(18)22(32)27-14-8-10-30(11-9-14)35(33,34)15-6-4-13(25)5-7-15/h1-7,12,14H,8-11H2,(H,26,29)(H,27,32)(H,28,31).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 540.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59862699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).