5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide

C9H8ClFN4O2S — CID 54955523

IUPAC5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H8ClFN4O2S/c10-6-2-1-5(3-7(6)11)15-18(16,17)8-4-13-14-9(8)12/h1-4,15H,(H3,12,13,14)
InChIKeyHBDBRPAETRREKQ-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.59
Rot. Bonds3

About 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54955523) has the molecular formula C9H8ClFN4O2S and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54955523
Molecular FormulaC9H8ClFN4O2S
Molecular Weight290.71 g/mol
Exact Mass290.00
IUPAC Name5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H8ClFN4O2S/c10-6-2-1-5(3-7(6)11)15-18(16,17)8-4-13-14-9(8)12/h1-4,15H,(H3,12,13,14)
InChIKeyHBDBRPAETRREKQ-UHFFFAOYSA-N
XLogP1.59
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
5-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 61126289
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
6-amino-N-(4-chloro-3-fluorophenyl)pyridine-3-sulfonamide
CID 62151485
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922613
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide (CID 54955523) is 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HBDBRPAETRREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4O2S/c10-6-2-1-5(3-7(6)11)15-18(16,17)8-4-13-14-9(8)12/h1-4,15H,(H3,12,13,14).
What are the key properties of 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 290.71 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54955523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).