(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid

C19H15NO4S — CID 164640962

IUPAC(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO4S/c21-19(22)18-12-15-7-3-4-8-17(15)20(18)25(23,24)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2,(H,21,22)/t18-/m0/s1
InChIKeyZVQVPTNOZVPJGZ-SFHVURJKSA-N
MW353.40 g/mol
LogP3.04
Rot. Bonds3

About (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid

(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 164640962) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID164640962
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H15NO4S/c21-19(22)18-12-15-7-3-4-8-17(15)20(18)25(23,24)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2,(H,21,22)/t18-/m0/s1
InChIKeyZVQVPTNOZVPJGZ-SFHVURJKSA-N
XLogP3.04
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845565
(3S)-2-naphthalen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2434906
(2S)-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 66845806
(2R)-1-(4-acetamidophenyl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 70189180
(2S)-1-[4-(3-chlorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69208495
(2S)-1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]-2,3-dihydroindole-2-carboxylic acid
CID 66845811
1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole-2-carboxamide
CID 16831405
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69213394
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 102554077
(2R)-1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 99635051
(2S)-1-tert-butylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 55232020

Frequently Asked Questions

What is the IUPAC name of (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid (CID 164640962) is (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is ZVQVPTNOZVPJGZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15NO4S/c21-19(22)18-12-15-7-3-4-8-17(15)20(18)25(23,24)16-10-9-13-5-1-2-6-14(13)11-16/h1-11,18H,12H2,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 353.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 164640962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).