(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide

C16H18N2O4S2 — CID 1253684

IUPAC(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1
InChIInChI=1S/C16H18N2O4S2/c1-11-3-5-14(6-4-11)24(21,22)18-12(2)9-13-10-15(23(17,19)20)7-8-16(13)18/h3-8,10,12H,9H2,1-2H3,(H2,17,19,20)/t12-/m1/s1
InChIKeyDGBOQWCTZYDKCE-GFCCVEGCSA-N
MW366.46 g/mol
LogP1.78
Rot. Bonds3

About (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide

(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 1253684) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID1253684
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1
InChIInChI=1S/C16H18N2O4S2/c1-11-3-5-14(6-4-11)24(21,22)18-12(2)9-13-10-15(23(17,19)20)7-8-16(13)18/h3-8,10,12H,9H2,1-2H3,(H2,17,19,20)/t12-/m1/s1
InChIKeyDGBOQWCTZYDKCE-GFCCVEGCSA-N
XLogP1.78
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556091
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24556093
2-methyl-5-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 55460783
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556080
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24563316
(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 39977365
(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1269756
methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24563307
5-bromo-1-(4-chlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239520
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484
5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239524

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (CID 1253684) is (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)cc1.
What is the InChIKey of (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DGBOQWCTZYDKCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-11-3-5-14(6-4-11)24(21,22)18-12(2)9-13-10-15(23(17,19)20)7-8-16(13)18/h3-8,10,12H,9H2,1-2H3,(H2,17,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 1253684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).