4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile

C16H14N2O2S — CID 24694007

IUPAC4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2S/c1-12-10-14-4-2-3-5-16(14)18(12)21(19,20)15-8-6-13(11-17)7-9-15/h2-9,12H,10H2,1H3
InChIKeyCUKSYWSSOMHAMX-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.70
Rot. Bonds2

About 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile

4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile (PubChem CID 24694007) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
PubChem CID24694007
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2S/c1-12-10-14-4-2-3-5-16(14)18(12)21(19,20)15-8-6-13(11-17)7-9-15/h2-9,12H,10H2,1H3
InChIKeyCUKSYWSSOMHAMX-UHFFFAOYSA-N
XLogP2.70
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonylmethyl]benzonitrile
CID 41037225
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 51710668
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
N-cyclopropyl-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109058375
ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42992372
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile?
The IUPAC name of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile (CID 24694007) is 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile.
What is the SMILES notation for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile?
The canonical SMILES for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile?
The InChIKey is CUKSYWSSOMHAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12-10-14-4-2-3-5-16(14)18(12)21(19,20)15-8-6-13(11-17)7-9-15/h2-9,12H,10H2,1H3.
What are the key properties of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile?
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile has a molecular weight of 298.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile is sourced from PubChem (CID 24694007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).