2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide

C13H12N2O3S2 — CID 6624556

IUPAC2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3cccs3)ccc2N1
InChIInChI=1S/C13H12N2O3S2/c16-13-7-9-6-11(3-4-12(9)15-13)20(17,18)14-8-10-2-1-5-19-10/h1-6,14H,7-8H2,(H,15,16)
InChIKeyDBDPRJIAWBMOPJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.72
Rot. Bonds4

About 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide

2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide (PubChem CID 6624556) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
PubChem CID6624556
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Name2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)NCc3cccs3)ccc2N1
InChIInChI=1S/C13H12N2O3S2/c16-13-7-9-6-11(3-4-12(9)15-13)20(17,18)14-8-10-2-1-5-19-10/h1-6,14H,7-8H2,(H,15,16)
InChIKeyDBDPRJIAWBMOPJ-UHFFFAOYSA-N
XLogP1.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-dihydroindole-5-sulfonamide
CID 110293482
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
2-oxo-3-propan-2-ylidene-N-(thiophen-2-ylmethyl)-1H-indole-5-sulfonamide
CID 46281903
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 50753525
N-[(2,4-difluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110782261
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
N-(thiophen-2-ylmethyl)-3-[3-(thiophen-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 3453501
N-[(4-chloro-2-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 139975297
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110787143
4-[[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]methyl]-N-(2-thiophen-2-ylethyl)benzamide
CID 142577825
2-oxo-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 110401819
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide (CID 6624556) is 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)NCc3cccs3)ccc2N1.
What is the InChIKey of 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
The InChIKey is DBDPRJIAWBMOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c16-13-7-9-6-11(3-4-12(9)15-13)20(17,18)14-8-10-2-1-5-19-10/h1-6,14H,7-8H2,(H,15,16).
What are the key properties of 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide?
2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide has a molecular weight of 308.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 6624556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).