4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide

C14H15FN4O2S — CID 99844417

IUPAC4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide
SMILESCn1nccc1CCNS(=O)(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C14H15FN4O2S/c1-19-10(5-7-17-19)6-8-18-22(20,21)13-9-16-12-4-2-3-11(15)14(12)13/h2-5,7,9,16,18H,6,8H2,1H3
InChIKeyWWYSZEGEDBPOHY-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.56
Rot. Bonds5

About 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide

4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide (PubChem CID 99844417) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide
PubChem CID99844417
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide
SMILESCn1nccc1CCNS(=O)(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C14H15FN4O2S/c1-19-10(5-7-17-19)6-8-18-22(20,21)13-9-16-12-4-2-3-11(15)14(12)13/h2-5,7,9,16,18H,6,8H2,1H3
InChIKeyWWYSZEGEDBPOHY-UHFFFAOYSA-N
XLogP1.56
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide (CID 99844417) is 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide is Cn1nccc1CCNS(=O)(=O)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide?
The InChIKey is WWYSZEGEDBPOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c1-19-10(5-7-17-19)6-8-18-22(20,21)13-9-16-12-4-2-3-11(15)14(12)13/h2-5,7,9,16,18H,6,8H2,1H3.
What are the key properties of 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide?
4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide has a molecular weight of 322.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-indole-3-sulfonamide is sourced from PubChem (CID 99844417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).