N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide

C9H6BrF2N3O2S — CID 3690180

IUPACN-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C9H6BrF2N3O2S/c10-6-4-13-14-9(6)15-18(16,17)5-1-2-7(11)8(12)3-5/h1-4H,(H2,13,14,15)
InChIKeyBINGFIFFWKKBHU-UHFFFAOYSA-N
MW338.13 g/mol
LogP2.25
Rot. Bonds3

About N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide

N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide (PubChem CID 3690180) has the molecular formula C9H6BrF2N3O2S and a molecular weight of 338.13 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide
PubChem CID3690180
Molecular FormulaC9H6BrF2N3O2S
Molecular Weight338.13 g/mol
Exact Mass336.93
IUPAC NameN-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1Br)c1ccc(F)c(F)c1
InChIInChI=1S/C9H6BrF2N3O2S/c10-6-4-13-14-9(6)15-18(16,17)5-1-2-7(11)8(12)3-5/h1-4H,(H2,13,14,15)
InChIKeyBINGFIFFWKKBHU-UHFFFAOYSA-N
XLogP2.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide (CID 3690180) is N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1[nH]ncc1Br)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide?
The InChIKey is BINGFIFFWKKBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2N3O2S/c10-6-4-13-14-9(6)15-18(16,17)5-1-2-7(11)8(12)3-5/h1-4H,(H2,13,14,15).
What are the key properties of N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide?
N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide has a molecular weight of 338.13 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrazol-5-yl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3690180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).