5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide

C16H16N2O3S — CID 2174045

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(N)=O
InChIInChI=1S/C16H16N2O3S/c1-11-6-7-13(10-14(11)16(17)19)22(20,21)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3,(H2,17,19)
InChIKeyKRGLKOXOWFVAEK-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.85
Rot. Bonds3

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide (PubChem CID 2174045) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
PubChem CID2174045
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(N)=O
InChIInChI=1S/C16H16N2O3S/c1-11-6-7-13(10-14(11)16(17)19)22(20,21)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3,(H2,17,19)
InChIKeyKRGLKOXOWFVAEK-UHFFFAOYSA-N
XLogP1.85
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2638520
4-(2,3-dihydroindol-1-ylsulfonyl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 28796047
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide (CID 2174045) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(N)=O.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide?
The InChIKey is KRGLKOXOWFVAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11-6-7-13(10-14(11)16(17)19)22(20,21)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9H2,1H3,(H2,17,19).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide has a molecular weight of 316.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide is sourced from PubChem (CID 2174045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).