4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide

C15H14N2O2S2 — CID 164983603

IUPAC4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=S)C3)cc1
InChIInChI=1S/C15H14N2O2S2/c1-10-2-6-13(7-3-10)21(18,19)17-12-5-4-11-8-15(20)16-14(11)9-12/h2-7,9,17H,8H2,1H3,(H,16,20)
InChIKeyFVLXWFPLCFBNND-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.09
Rot. Bonds3

About 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide

4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide (PubChem CID 164983603) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide
PubChem CID164983603
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=S)C3)cc1
InChIInChI=1S/C15H14N2O2S2/c1-10-2-6-13(7-3-10)21(18,19)17-12-5-4-11-8-15(20)16-14(11)9-12/h2-7,9,17H,8H2,1H3,(H,16,20)
InChIKeyFVLXWFPLCFBNND-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2,3-dihydroindole-1-carbothioamide
CID 3383184
1-(Benzenesulfonyl)-6-piperazin-1-yl-2,3-dihydroindole
CID 155550351
1-[(4-Methylphenyl)sulfonyl]-4,6-dinitroindoline
CID 562842
4-[(Indolinylthioxomethyl)amino]benzenesulfonamide
CID 3261167
1-[(4-Methylphenyl)sulfonyl]indoline
CID 743441
[4-(2,3-Dihydroindol-1-ylsulfonyl)phenyl]methanamine
CID 16781824
5-methyl-3-(4-methylphenyl)sulfonyl-1H-benzimidazole-2-thione
CID 70683344
6-methyl-3-(4-methylphenyl)sulfonyl-1H-benzimidazole-2-thione
CID 2796863
1H-Indole, 2,3-dihydro-3-methylene-1-[(4-methylphenyl)sulfonyl]-
CID 10589202
N-(2,3-dihydro-1H-indol-6-yl)-4-fluorobenzenesulfonamide
CID 22037936
4-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 22038246

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide (CID 164983603) is 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=S)C3)cc1.
What is the InChIKey of 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide?
The InChIKey is FVLXWFPLCFBNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-10-2-6-13(7-3-10)21(18,19)17-12-5-4-11-8-15(20)16-14(11)9-12/h2-7,9,17H,8H2,1H3,(H,16,20).
What are the key properties of 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide?
4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-sulfanylidene-1,3-dihydroindol-6-yl)benzenesulfonamide is sourced from PubChem (CID 164983603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).