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

C14H14N2O3S2 — CID 60698710

IUPAC1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccsc1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H14N2O3S2/c1-9-5-7-20-13(9)14(17)16-6-4-10-8-11(21(15,18)19)2-3-12(10)16/h2-3,5,7-8H,4,6H2,1H3,(H2,15,18,19)
InChIKeyKJQLZIAVOYSIOR-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.91
Rot. Bonds2

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

1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 60698710) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID60698710
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccsc1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H14N2O3S2/c1-9-5-7-20-13(9)14(17)16-6-4-10-8-11(21(15,18)19)2-3-12(10)16/h2-3,5,7-8H,4,6H2,1H3,(H2,15,18,19)
InChIKeyKJQLZIAVOYSIOR-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide (CID 60698710) is 1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide is Cc1ccsc1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KJQLZIAVOYSIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9-5-7-20-13(9)14(17)16-6-4-10-8-11(21(15,18)19)2-3-12(10)16/h2-3,5,7-8H,4,6H2,1H3,(H2,15,18,19).
What are the key properties of 1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide?
1-(3-methylthiophene-2-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-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 60698710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).