1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole

C18H19NO2S — CID 10519271

IUPAC1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
SMILESC=C(C)C1Cc2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO2S/c1-13(2)18-12-15-6-4-5-7-17(15)19(18)22(20,21)16-10-8-14(3)9-11-16/h4-11,18H,1,12H2,2-3H3
InChIKeyABBYKKRAEOZZOP-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.69
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole

1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole (PubChem CID 10519271) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
PubChem CID10519271
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole
SMILESC=C(C)C1Cc2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19NO2S/c1-13(2)18-12-15-6-4-5-7-17(15)19(18)22(20,21)16-10-8-14(3)9-11-16/h4-11,18H,1,12H2,2-3H3
InChIKeyABBYKKRAEOZZOP-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole 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

(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
methyl 1-(4-hydroxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxylate
CID 67437069
carbanide;[1-(4-phenylphenyl)sulfonyl-2,3-dihydroindole-2-carbonyl]azanide;yttrium
CID 59725843
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
(2S)-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 60606512
(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845806
(3aR,9aS)-1-cyclohexylidene-4-(4-methylphenyl)sulfonyl-9,9a-dihydro-3aH-cyclopenta[b]quinoline
CID 164670736
(2S)-1-[4-(3-chlorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69208495
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
2-acetyl-2,3-dihydroindole-1-sulfonic acid
CID 70189483
N-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxamide
CID 18714977

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole (CID 10519271) is 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole is C=C(C)C1Cc2ccccc2N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole?
The InChIKey is ABBYKKRAEOZZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-13(2)18-12-15-6-4-5-7-17(15)19(18)22(20,21)16-10-8-14(3)9-11-16/h4-11,18H,1,12H2,2-3H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole?
1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole has a molecular weight of 313.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-prop-1-en-2-yl-2,3-dihydroindole is sourced from PubChem (CID 10519271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).