N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide

C15H18N4O2S — CID 19615332

IUPACN-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H18N4O2S/c1-11-15(10-19(2)18-11)22(20,21)17-8-7-12-9-16-14-6-4-3-5-13(12)14/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyNYLGIVUACIFUEF-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.73
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 19615332) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID19615332
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H18N4O2S/c1-11-15(10-19(2)18-11)22(20,21)17-8-7-12-9-16-14-6-4-3-5-13(12)14/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyNYLGIVUACIFUEF-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

Analyze N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 19615332) is N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is NYLGIVUACIFUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11-15(10-19(2)18-11)22(20,21)17-8-7-12-9-16-14-6-4-3-5-13(12)14/h3-6,9-10,16-17H,7-8H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-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 N-[2-(1H-indol-3-yl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19615332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).