5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide

C17H14FN3O3S — CID 68747324

IUPAC5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2F)n1
InChIInChI=1S/C17H14FN3O3S/c1-19-17(22)14-11-16(25(23,24)12-7-3-2-4-8-12)21(20-14)15-10-6-5-9-13(15)18/h2-11H,1H3,(H,19,22)
InChIKeyLELXOROEQLBSKX-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.20
Rot. Bonds4

About 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide

5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 68747324) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID68747324
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2F)n1
InChIInChI=1S/C17H14FN3O3S/c1-19-17(22)14-11-16(25(23,24)12-7-3-2-4-8-12)21(20-14)15-10-6-5-9-13(15)18/h2-11H,1H3,(H,19,22)
InChIKeyLELXOROEQLBSKX-UHFFFAOYSA-N
XLogP2.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide (CID 68747324) is 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2F)n1.
What is the InChIKey of 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is LELXOROEQLBSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-19-17(22)14-11-16(25(23,24)12-7-3-2-4-8-12)21(20-14)15-10-6-5-9-13(15)18/h2-11H,1H3,(H,19,22).
What are the key properties of 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide?
5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 68747324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).