N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide

C10H9F2N3O2S — CID 62050435

IUPACN-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1cn[nH]c1
InChIInChI=1S/C10H9F2N3O2S/c11-8-2-1-7(10(12)3-8)4-15-18(16,17)9-5-13-14-6-9/h1-3,5-6,15H,4H2,(H,13,14)
InChIKeyYUPKOKDANNUDTA-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.17
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide

N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 62050435) has the molecular formula C10H9F2N3O2S and a molecular weight of 273.26 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID62050435
Molecular FormulaC10H9F2N3O2S
Molecular Weight273.26 g/mol
Exact Mass273.04
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1F)c1cn[nH]c1
InChIInChI=1S/C10H9F2N3O2S/c11-8-2-1-7(10(12)3-8)4-15-18(16,17)9-5-13-14-6-9/h1-3,5-6,15H,4H2,(H,13,14)
InChIKeyYUPKOKDANNUDTA-UHFFFAOYSA-N
XLogP1.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 63373518
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62228344
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106385116
N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54903401
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
N-[[3-(chloromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 65032352

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide (CID 62050435) is N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCc1ccc(F)cc1F)c1cn[nH]c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is YUPKOKDANNUDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S/c11-8-2-1-7(10(12)3-8)4-15-18(16,17)9-5-13-14-6-9/h1-3,5-6,15H,4H2,(H,13,14).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 273.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62050435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).