(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole

C16H17NO2S — CID 92533105

IUPAC(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
SMILESC[C@H]1c2ccccc2N(S(=O)(=O)c2ccccc2)[C@H]1C
InChIInChI=1S/C16H17NO2S/c1-12-13(2)17(16-11-7-6-10-15(12)16)20(18,19)14-8-4-3-5-9-14/h3-13H,1-2H3/t12-,13+/m1/s1
InChIKeyAVYMMPQENKSLPD-OLZOCXBDSA-N
MW287.38 g/mol
LogP3.39
Rot. Bonds2

About (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole

(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole (PubChem CID 92533105) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
PubChem CID92533105
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
SMILESC[C@H]1c2ccccc2N(S(=O)(=O)c2ccccc2)[C@H]1C
InChIInChI=1S/C16H17NO2S/c1-12-13(2)17(16-11-7-6-10-15(12)16)20(18,19)14-8-4-3-5-9-14/h3-13H,1-2H3/t12-,13+/m1/s1
InChIKeyAVYMMPQENKSLPD-OLZOCXBDSA-N
XLogP3.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S)-3,4-dimethyl-1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-dihydro-2H-quinoline
CID 132969567
methyl (2R,3aS,8bR)-4-(benzenesulfonyl)-2-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate
CID 10384653
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
2-methyl-1-(4-methylphenyl)sulfonyl-N-phenyl-3,4-dihydro-2H-quinolin-4-amine
CID 588949
(1R,9R)-17-ethyl-8,16-bis-(4-methylphenyl)sulfonyl-8,16,17-triazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
CID 6602036
N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide
CID 163155161
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
methyl (2S,3aS,8bR)-4-(benzenesulfonyl)-2-propan-2-yl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate
CID 10408701
(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
CID 69354601
(4aS,9aS)-9-(4-methylphenyl)sulfonyl-3,4,4a,9a-tetrahydro-1H-carbazol-2-one
CID 15261495
dimethyl (2R,3aS,8bR)-4-(benzenesulfonyl)-2-methoxy-3a,8b-dihydro-1H-pyrrolo[2,3-b]indole-2,3-dicarboxylate
CID 10049220
4-methyl-N-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 1108481

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole?
The IUPAC name of (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole (CID 92533105) is (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole.
What is the SMILES notation for (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole?
The canonical SMILES for (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole is C[C@H]1c2ccccc2N(S(=O)(=O)c2ccccc2)[C@H]1C.
What is the InChIKey of (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole?
The InChIKey is AVYMMPQENKSLPD-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-13(2)17(16-11-7-6-10-15(12)16)20(18,19)14-8-4-3-5-9-14/h3-13H,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole?
(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole has a molecular weight of 287.38 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 92533105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).