N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide

C14H18FN3O2S — CID 138021246

IUPACN-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide
SMILESCCn1ncc(C)c1NS(=O)(=O)CCc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2S/c1-3-18-14(11(2)10-16-18)17-21(19,20)8-7-12-5-4-6-13(15)9-12/h4-6,9-10,17H,3,7-8H2,1-2H3
InChIKeyLJZMBGSJCFOKGN-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.33
Rot. Bonds6

About N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide

N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide (PubChem CID 138021246) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide
PubChem CID138021246
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC NameN-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide
SMILESCCn1ncc(C)c1NS(=O)(=O)CCc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2S/c1-3-18-14(11(2)10-16-18)17-21(19,20)8-7-12-5-4-6-13(15)9-12/h4-6,9-10,17H,3,7-8H2,1-2H3
InChIKeyLJZMBGSJCFOKGN-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide?
The IUPAC name of N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide (CID 138021246) is N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide?
The canonical SMILES for N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide is CCn1ncc(C)c1NS(=O)(=O)CCc1cccc(F)c1.
What is the InChIKey of N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide?
The InChIKey is LJZMBGSJCFOKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-3-18-14(11(2)10-16-18)17-21(19,20)8-7-12-5-4-6-13(15)9-12/h4-6,9-10,17H,3,7-8H2,1-2H3.
What are the key properties of N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide?
N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-methylpyrazol-5-yl)-2-(3-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 138021246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).