N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H22N4O2S — CID 110789137

IUPACN-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1c(C)n(C)c2ccccc12
InChIInChI=1S/C17H22N4O2S/c1-11-17(12(2)20-19-11)24(22,23)18-10-9-14-13(3)21(4)16-8-6-5-7-15(14)16/h5-8,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyYPJIKUOIONIMKH-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110789137) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110789137
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCc1c(C)n(C)c2ccccc12
InChIInChI=1S/C17H22N4O2S/c1-11-17(12(2)20-19-11)24(22,23)18-10-9-14-13(3)21(4)16-8-6-5-7-15(14)16/h5-8,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyYPJIKUOIONIMKH-UHFFFAOYSA-N
XLogP2.35
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110789137) is N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCc1c(C)n(C)c2ccccc12.
What is the InChIKey of N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is YPJIKUOIONIMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-17(12(2)20-19-11)24(22,23)18-10-9-14-13(3)21(4)16-8-6-5-7-15(14)16/h5-8,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethylindol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110789137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).