3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride

C10H7ClFN3O3S — CID 55182484

IUPAC3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1F)c1cn[nH]c1
InChIInChI=1S/C10H7ClFN3O3S/c11-19(17,18)7-1-2-9(8(12)3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyXXSNBCVWTTYRRN-UHFFFAOYSA-N
MW303.70 g/mol
LogP1.73
Rot. Bonds3

About 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride

3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride (PubChem CID 55182484) has the molecular formula C10H7ClFN3O3S and a molecular weight of 303.70 g/mol. Its IUPAC name is 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride
PubChem CID55182484
Molecular FormulaC10H7ClFN3O3S
Molecular Weight303.70 g/mol
Exact Mass302.99
IUPAC Name3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1F)c1cn[nH]c1
InChIInChI=1S/C10H7ClFN3O3S/c11-19(17,18)7-1-2-9(8(12)3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16)
InChIKeyXXSNBCVWTTYRRN-UHFFFAOYSA-N
XLogP1.73
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1H-pyrazole-4-carboxamide
CID 21184506
N-(3,4-Difluorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115437
5-(anilinosulfonyl)-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53115446
5-(anilinosulfonyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53115447
N-(3-Fluorophenyl)-5-(4-toluidinosulfonyl)-1H-pyrazole-4-carboxamide
CID 53115469
5-[(4-fluoroanilino)sulfonyl]-N-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53115571
N-(4-Fluorophenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115588
5-prop-2-enyl-N-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 18768803
5-methyl-N-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 18768818
N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532871
N-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532878
1-amino-3-(difluoromethylsulfonyl)-N-phenylpyrazole-4-carboxamide
CID 89462230

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride (CID 55182484) is 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1F)c1cn[nH]c1.
What is the InChIKey of 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride?
The InChIKey is XXSNBCVWTTYRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O3S/c11-19(17,18)7-1-2-9(8(12)3-7)15-10(16)6-4-13-14-5-6/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride?
3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride has a molecular weight of 303.70 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1H-pyrazole-4-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 55182484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).