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

C15H18N4O2S — CID 19615339

IUPAC1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc2[nH]cc(CCNS(=O)(=O)c3cnn(C)c3)c2c1
InChIInChI=1S/C15H18N4O2S/c1-11-3-4-15-14(7-11)12(8-16-15)5-6-18-22(20,21)13-9-17-19(2)10-13/h3-4,7-10,16,18H,5-6H2,1-2H3
InChIKeyAYPBLCJMYKZUHE-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.73
Rot. Bonds5

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

1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 19615339) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID19615339
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc2[nH]cc(CCNS(=O)(=O)c3cnn(C)c3)c2c1
InChIInChI=1S/C15H18N4O2S/c1-11-3-4-15-14(7-11)12(8-16-15)5-6-18-22(20,21)13-9-17-19(2)10-13/h3-4,7-10,16,18H,5-6H2,1-2H3
InChIKeyAYPBLCJMYKZUHE-UHFFFAOYSA-N
XLogP1.73
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide (CID 19615339) is 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide is Cc1ccc2[nH]cc(CCNS(=O)(=O)c3cnn(C)c3)c2c1.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is AYPBLCJMYKZUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11-3-4-15-14(7-11)12(8-16-15)5-6-18-22(20,21)13-9-17-19(2)10-13/h3-4,7-10,16,18H,5-6H2,1-2H3.
What are the key properties of 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19615339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).