5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide

C9H8BrFN4O2S — CID 54922801

IUPAC5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H8BrFN4O2S/c10-5-1-2-7(6(11)3-5)15-18(16,17)8-4-13-14-9(8)12/h1-4,15H,(H3,12,13,14)
InChIKeyJHAZHRJRADFUNP-UHFFFAOYSA-N
MW335.16 g/mol
LogP1.69
Rot. Bonds3

About 5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54922801) has the molecular formula C9H8BrFN4O2S and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54922801
Molecular FormulaC9H8BrFN4O2S
Molecular Weight335.16 g/mol
Exact Mass333.95
IUPAC Name5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H8BrFN4O2S/c10-5-1-2-7(6(11)3-5)15-18(16,17)8-4-13-14-9(8)12/h1-4,15H,(H3,12,13,14)
InChIKeyJHAZHRJRADFUNP-UHFFFAOYSA-N
XLogP1.69
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
5-amino-N-(3-fluoro-4-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 107594731
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416
4-amino-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 43256411
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
2-amino-N-(4-bromo-2-fluorophenyl)-5-chlorobenzenesulfonamide
CID 60986146
3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60810406
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79884837
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide (CID 54922801) is 5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of 5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JHAZHRJRADFUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4O2S/c10-5-1-2-7(6(11)3-5)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-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 335.16 g/mol, XLogP of 1.69, 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-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54922801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).