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

C12H14BrFN4O2S — CID 60807949

IUPAC3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(N)n1
InChIInChI=1S/C12H14BrFN4O2S/c1-2-5-18-7-11(12(15)16-18)21(19,20)17-10-4-3-8(13)6-9(10)14/h3-4,6-7,17H,2,5H2,1H3,(H2,15,16)
InChIKeyVPOBJKXPEJHLOD-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.58
Rot. Bonds5

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

3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60807949) has the molecular formula C12H14BrFN4O2S and a molecular weight of 377.24 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
PubChem CID60807949
Molecular FormulaC12H14BrFN4O2S
Molecular Weight377.24 g/mol
Exact Mass376.00
IUPAC Name3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(N)n1
InChIInChI=1S/C12H14BrFN4O2S/c1-2-5-18-7-11(12(15)16-18)21(19,20)17-10-4-3-8(13)6-9(10)14/h3-4,6-7,17H,2,5H2,1H3,(H2,15,16)
InChIKeyVPOBJKXPEJHLOD-UHFFFAOYSA-N
XLogP2.58
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide (CID 60807949) is 3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(N)n1.
What is the InChIKey of 3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is VPOBJKXPEJHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4O2S/c1-2-5-18-7-11(12(15)16-18)21(19,20)17-10-4-3-8(13)6-9(10)14/h3-4,6-7,17H,2,5H2,1H3,(H2,15,16).
What are the key properties of 3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(4-bromo-2-fluorophenyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 377.24 g/mol, XLogP of 2.58, 5 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-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60807949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).