1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide

C14H14N2O3S2 — CID 79807783

IUPAC1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1cscc1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H14N2O3S2/c1-9-7-20-8-12(9)14(17)16-5-4-10-6-11(21(15,18)19)2-3-13(10)16/h2-3,6-8H,4-5H2,1H3,(H2,15,18,19)
InChIKeyQPOUDFWUMOFWGE-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.91
Rot. Bonds2

About 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide

1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 79807783) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID79807783
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1cscc1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H14N2O3S2/c1-9-7-20-8-12(9)14(17)16-5-4-10-6-11(21(15,18)19)2-3-13(10)16/h2-3,6-8H,4-5H2,1H3,(H2,15,18,19)
InChIKeyQPOUDFWUMOFWGE-UHFFFAOYSA-N
XLogP1.91
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698710
1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107965281
1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
1-(4-chloro-1H-pyrrole-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698896
1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 63081047
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55864125
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-(6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 46968266

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide (CID 79807783) is 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide is Cc1cscc1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QPOUDFWUMOFWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9-7-20-8-12(9)14(17)16-5-4-10-6-11(21(15,18)19)2-3-13(10)16/h2-3,6-8H,4-5H2,1H3,(H2,15,18,19).
What are the key properties of 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide?
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 79807783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).