3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide

C23H19Cl2N5O3S — CID 44557480

IUPAC3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(Cl)nn3-c3ncccc3Cl)c(C)c2)cc1
InChIInChI=1S/C23H19Cl2N5O3S/c1-14-5-8-17(9-6-14)34(32,33)29-16-7-10-19(15(2)12-16)27-23(31)20-13-21(25)28-30(20)22-18(24)4-3-11-26-22/h3-13,29H,1-2H3,(H,27,31)
InChIKeyLHVVIZKIXYUILT-UHFFFAOYSA-N
MW516.41 g/mol
LogP5.24
Rot. Bonds6

About 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide

3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide (PubChem CID 44557480) has the molecular formula C23H19Cl2N5O3S and a molecular weight of 516.41 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide
PubChem CID44557480
Molecular FormulaC23H19Cl2N5O3S
Molecular Weight516.41 g/mol
Exact Mass515.06
IUPAC Name3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(Cl)nn3-c3ncccc3Cl)c(C)c2)cc1
InChIInChI=1S/C23H19Cl2N5O3S/c1-14-5-8-17(9-6-14)34(32,33)29-16-7-10-19(15(2)12-16)27-23(31)20-13-21(25)28-30(20)22-18(24)4-3-11-26-22/h3-13,29H,1-2H3,(H,27,31)
InChIKeyLHVVIZKIXYUILT-UHFFFAOYSA-N
XLogP5.24
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.41
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
N-(6-chloro-4-methyl-3-pyridinyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 152573475
3-chloro-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-methylsulfonylphenyl)pyrazole-5-carboxamide
CID 139400912
1-(3-chloro-2-pyridinyl)-N-(2,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 87459787
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
N-[5-chloro-2-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202262
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 28572809
2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(methylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 59757146

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide (CID 44557480) is 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(Cl)nn3-c3ncccc3Cl)c(C)c2)cc1.
What is the InChIKey of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide?
The InChIKey is LHVVIZKIXYUILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N5O3S/c1-14-5-8-17(9-6-14)34(32,33)29-16-7-10-19(15(2)12-16)27-23(31)20-13-21(25)28-30(20)22-18(24)4-3-11-26-22/h3-13,29H,1-2H3,(H,27,31).
What are the key properties of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide?
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide has a molecular weight of 516.41 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 44557480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).