3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide

C10H10BrFN4O2S — CID 54922662

IUPAC3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(Br)ccc2F)c(N)n1
InChIInChI=1S/C10H10BrFN4O2S/c1-16-5-9(10(13)14-16)19(17,18)15-8-4-6(11)2-3-7(8)12/h2-5,15H,1H3,(H2,13,14)
InChIKeyXKMNYZYQMCTYLH-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 54922662) has the molecular formula C10H10BrFN4O2S and a molecular weight of 349.19 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID54922662
Molecular FormulaC10H10BrFN4O2S
Molecular Weight349.19 g/mol
Exact Mass347.97
IUPAC Name3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(Br)ccc2F)c(N)n1
InChIInChI=1S/C10H10BrFN4O2S/c1-16-5-9(10(13)14-16)19(17,18)15-8-4-6(11)2-3-7(8)12/h2-5,15H,1H3,(H2,13,14)
InChIKeyXKMNYZYQMCTYLH-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide (CID 54922662) is 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cc(Br)ccc2F)c(N)n1.
What is the InChIKey of 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is XKMNYZYQMCTYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN4O2S/c1-16-5-9(10(13)14-16)19(17,18)15-8-4-6(11)2-3-7(8)12/h2-5,15H,1H3,(H2,13,14).
What are the key properties of 3-amino-N-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(5-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-(5-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 54922662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).