(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide

C21H20N2O4S2 — CID 39977365

IUPAC(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H20N2O4S2/c1-15-13-17-14-18(28(22,24)25)11-12-20(17)23(15)29(26,27)21-10-6-5-9-19(21)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H2,22,24,25)/t15-/m0/s1
InChIKeyPHWMOIHHIOXOFT-HNNXBMFYSA-N
MW428.54 g/mol
LogP3.14
Rot. Bonds4

About (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide

(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 39977365) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID39977365
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC Name(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C21H20N2O4S2/c1-15-13-17-14-18(28(22,24)25)11-12-20(17)23(15)29(26,27)21-10-6-5-9-19(21)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H2,22,24,25)/t15-/m0/s1
InChIKeyPHWMOIHHIOXOFT-HNNXBMFYSA-N
XLogP3.14
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556091
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556080
2-methyl-5-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 55460783
methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24563307
1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine
CID 43551065
ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24556093
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55681595
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24563316
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686
(2S)-2-methyl-1-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 25336713
2-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 42926233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (CID 39977365) is (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PHWMOIHHIOXOFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c1-15-13-17-14-18(28(22,24)25)11-12-20(17)23(15)29(26,27)21-10-6-5-9-19(21)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H2,22,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 428.54 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 39977365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).