2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C11H11F2N3O2S — CID 17376057

IUPAC2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C11H11F2N3O2S/c1-16-7-8(5-14-16)6-15-19(17,18)11-4-9(12)2-3-10(11)13/h2-5,7,15H,6H2,1H3
InChIKeyBEWGLPNVFWKZCE-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.18
Rot. Bonds4

About 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 17376057) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID17376057
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCn1cc(CNS(=O)(=O)c2cc(F)ccc2F)cn1
InChIInChI=1S/C11H11F2N3O2S/c1-16-7-8(5-14-16)6-15-19(17,18)11-4-9(12)2-3-10(11)13/h2-5,7,15H,6H2,1H3
InChIKeyBEWGLPNVFWKZCE-UHFFFAOYSA-N
XLogP1.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 17376057) is 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is Cn1cc(CNS(=O)(=O)c2cc(F)ccc2F)cn1.
What is the InChIKey of 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is BEWGLPNVFWKZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-16-7-8(5-14-16)6-15-19(17,18)11-4-9(12)2-3-10(11)13/h2-5,7,15H,6H2,1H3.
What are the key properties of 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 17376057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).