N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide

C14H14N2O3S2 — CID 110730098

IUPACN-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1Cc2ccccc2N1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N2O3S2/c17-13-10-11-4-1-2-5-12(11)16(13)8-7-15-21(18,19)14-6-3-9-20-14/h1-6,9,15H,7-8,10H2
InChIKeyRAQTXLJIXNMYDV-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110730098) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110730098
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=C1Cc2ccccc2N1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N2O3S2/c17-13-10-11-4-1-2-5-12(11)16(13)8-7-15-21(18,19)14-6-3-9-20-14/h1-6,9,15H,7-8,10H2
InChIKeyRAQTXLJIXNMYDV-UHFFFAOYSA-N
XLogP1.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide (CID 110730098) is N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide is O=C1Cc2ccccc2N1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is RAQTXLJIXNMYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c17-13-10-11-4-1-2-5-12(11)16(13)8-7-15-21(18,19)14-6-3-9-20-14/h1-6,9,15H,7-8,10H2.
What are the key properties of N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110730098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).