(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole

C14H14N2O3S — CID 138976936

IUPAC(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
SMILESCO[C@@H]1CN(S(=O)(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C14H14N2O3S/c1-19-13-10-16(12-7-3-2-6-11(12)13)20(17,18)14-8-4-5-9-15-14/h2-9,13H,10H2,1H3/t13-/m1/s1
InChIKeyNRFCBYUQIMGXIW-CYBMUJFWSA-N
MW290.34 g/mol
LogP1.98
Rot. Bonds3

About (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole

(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole (PubChem CID 138976936) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
PubChem CID138976936
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
SMILESCO[C@@H]1CN(S(=O)(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C14H14N2O3S/c1-19-13-10-16(12-7-3-2-6-11(12)13)20(17,18)14-8-4-5-9-15-14/h2-9,13H,10H2,1H3/t13-/m1/s1
InChIKeyNRFCBYUQIMGXIW-CYBMUJFWSA-N
XLogP1.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
CID 102442471
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058
2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
CID 110709564
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 110709552
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
methyl (3S)-1-(1-phenylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-3-carboxylate
CID 170021848
1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole
CID 136537139
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine
CID 173425582
1-(1-methylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 166231449

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole (CID 138976936) is (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole is CO[C@@H]1CN(S(=O)(=O)c2ccccn2)c2ccccc21.
What is the InChIKey of (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole?
The InChIKey is NRFCBYUQIMGXIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-19-13-10-16(12-7-3-2-6-11(12)13)20(17,18)14-8-4-5-9-15-14/h2-9,13H,10H2,1H3/t13-/m1/s1.
What are the key properties of (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole?
(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole has a molecular weight of 290.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 138976936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).