1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide

C18H15ClFN3O3S — CID 166208436

IUPAC1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1F
InChIInChI=1S/C18H15ClFN3O3S/c1-11-9-15(7-8-17(11)20)27(25,26)22-18(24)16-10-21-23(12(16)2)14-5-3-13(19)4-6-14/h3-10H,1-2H3,(H,22,24)
InChIKeyKYSHBRRUIMVANK-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide (PubChem CID 166208436) has the molecular formula C18H15ClFN3O3S and a molecular weight of 407.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide
PubChem CID166208436
Molecular FormulaC18H15ClFN3O3S
Molecular Weight407.85 g/mol
Exact Mass407.05
IUPAC Name1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1F
InChIInChI=1S/C18H15ClFN3O3S/c1-11-9-15(7-8-17(11)20)27(25,26)22-18(24)16-10-21-23(12(16)2)14-5-3-13(19)4-6-14/h3-10H,1-2H3,(H,22,24)
InChIKeyKYSHBRRUIMVANK-UHFFFAOYSA-N
XLogP3.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide (CID 166208436) is 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide is Cc1cc(S(=O)(=O)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide?
The InChIKey is KYSHBRRUIMVANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S/c1-11-9-15(7-8-17(11)20)27(25,26)22-18(24)16-10-21-23(12(16)2)14-5-3-13(19)4-6-14/h3-10H,1-2H3,(H,22,24).
What are the key properties of 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide has a molecular weight of 407.85 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166208436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).