N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide

C15H10ClFN4O3S — CID 52934969

IUPACN-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2ccc(Cl)c(F)c2)c1)c1ccccn1
InChIInChI=1S/C15H10ClFN4O3S/c16-12-5-4-11(7-13(12)17)25(23,24)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22)
InChIKeyQCOQOSHDIPGAQG-UHFFFAOYSA-N
MW380.79 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide

N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 52934969) has the molecular formula C15H10ClFN4O3S and a molecular weight of 380.79 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID52934969
Molecular FormulaC15H10ClFN4O3S
Molecular Weight380.79 g/mol
Exact Mass380.01
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2ccc(Cl)c(F)c2)c1)c1ccccn1
InChIInChI=1S/C15H10ClFN4O3S/c16-12-5-4-11(7-13(12)17)25(23,24)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22)
InChIKeyQCOQOSHDIPGAQG-UHFFFAOYSA-N
XLogP2.56
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-fluorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914100
N-[1-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 52914310
N-[1-(4-chloro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914665
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
N-[1-[(5-chloro-2-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 68374351
N-[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 88957119
N-[1-(4-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913766
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 51347211
N-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934738
N-[1-(2,5-dichlorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934972
N-[1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934973
N-[1-(3,4,5-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935191

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide (CID 52934969) is N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(S(=O)(=O)c2ccc(Cl)c(F)c2)c1)c1ccccn1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is QCOQOSHDIPGAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O3S/c16-12-5-4-11(7-13(12)17)25(23,24)21-9-10(8-19-21)20-15(22)14-3-1-2-6-18-14/h1-9H,(H,20,22).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 380.79 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52934969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).