1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide

C16H20N4O2S — CID 19590001

IUPAC1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C16H20N4O2S/c1-3-20-12(2)16(11-18-20)23(21,22)19-9-8-13-10-17-15-7-5-4-6-14(13)15/h4-7,10-11,17,19H,3,8-9H2,1-2H3
InChIKeyKXKUVHUFOJTUEM-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.21
Rot. Bonds6

About 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide

1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide (PubChem CID 19590001) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide
PubChem CID19590001
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1C
InChIInChI=1S/C16H20N4O2S/c1-3-20-12(2)16(11-18-20)23(21,22)19-9-8-13-10-17-15-7-5-4-6-14(13)15/h4-7,10-11,17,19H,3,8-9H2,1-2H3
InChIKeyKXKUVHUFOJTUEM-UHFFFAOYSA-N
XLogP2.21
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide (CID 19590001) is 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1C.
What is the InChIKey of 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide?
The InChIKey is KXKUVHUFOJTUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-20-12(2)16(11-18-20)23(21,22)19-9-8-13-10-17-15-7-5-4-6-14(13)15/h4-7,10-11,17,19H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide?
1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19590001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).