N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide

C14H14N2O3S2 — CID 1277401

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C14H14N2O3S2/c1-10(17)16-7-6-11-9-12(4-5-13(11)16)15-21(18,19)14-3-2-8-20-14/h2-5,8-9,15H,6-7H2,1H3
InChIKeyVOFRMKNBOSHELM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.46
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide

N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide (PubChem CID 1277401) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
PubChem CID1277401
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide
SMILESCC(=O)N1CCc2cc(NS(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C14H14N2O3S2/c1-10(17)16-7-6-11-9-12(4-5-13(11)16)15-21(18,19)14-3-2-8-20-14/h2-5,8-9,15H,6-7H2,1H3
InChIKeyVOFRMKNBOSHELM-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide (CID 1277401) is N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide is CC(=O)N1CCc2cc(NS(=O)(=O)c3cccs3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide?
The InChIKey is VOFRMKNBOSHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-10(17)16-7-6-11-9-12(4-5-13(11)16)15-21(18,19)14-3-2-8-20-14/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 1277401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).