3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide

C10H10BrFN4O2S — CID 60810406

IUPAC3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(N)n1
InChIInChI=1S/C10H10BrFN4O2S/c1-16-5-9(10(13)14-16)19(17,18)15-8-3-2-6(11)4-7(8)12/h2-5,15H,1H3,(H2,13,14)
InChIKeyFXPSYXVILWBATJ-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 60810406) has the molecular formula C10H10BrFN4O2S and a molecular weight of 349.19 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID60810406
Molecular FormulaC10H10BrFN4O2S
Molecular Weight349.19 g/mol
Exact Mass347.97
IUPAC Name3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(N)n1
InChIInChI=1S/C10H10BrFN4O2S/c1-16-5-9(10(13)14-16)19(17,18)15-8-3-2-6(11)4-7(8)12/h2-5,15H,1H3,(H2,13,14)
InChIKeyFXPSYXVILWBATJ-UHFFFAOYSA-N
XLogP1.70
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
3-amino-N-(4-chloro-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
CID 61110443
5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230
3-amino-N-(3-bromo-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 55201167
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
4-amino-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 43256411
3-amino-N-(4-bromo-2-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79884837
3-amino-N-(2-ethoxy-4-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 61125168

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide (CID 60810406) is 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(N)n1.
What is the InChIKey of 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is FXPSYXVILWBATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4O2S/c1-16-5-9(10(13)14-16)19(17,18)15-8-3-2-6(11)4-7(8)12/h2-5,15H,1H3,(H2,13,14).
What are the key properties of 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 349.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60810406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).