3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C10H9F2N3O2S — CID 22209057

IUPAC3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N3O2S/c1-15-5-4-10(13-15)14-18(16,17)7-2-3-8(11)9(12)6-7/h2-6H,1H3,(H,13,14)
InChIKeyYNFAPFAYDCTUKR-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.50
Rot. Bonds3

About 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 22209057) has the molecular formula C10H9F2N3O2S and a molecular weight of 273.26 g/mol. Its IUPAC name is 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID22209057
Molecular FormulaC10H9F2N3O2S
Molecular Weight273.26 g/mol
Exact Mass273.04
IUPAC Name3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H9F2N3O2S/c1-15-5-4-10(13-15)14-18(16,17)7-2-3-8(11)9(12)6-7/h2-6H,1H3,(H,13,14)
InChIKeyYNFAPFAYDCTUKR-UHFFFAOYSA-N
XLogP1.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 22209057) is 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is YNFAPFAYDCTUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S/c1-15-5-4-10(13-15)14-18(16,17)7-2-3-8(11)9(12)6-7/h2-6H,1H3,(H,13,14).
What are the key properties of 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 273.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 22209057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).