5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid

C16H15NO5S — CID 832238

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)O
InChIInChI=1S/C16H15NO5S/c1-22-15-7-6-12(10-13(15)16(18)19)23(20,21)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyQRJHADWFWDUEBC-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.14
Rot. Bonds4

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid (PubChem CID 832238) has the molecular formula C16H15NO5S and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
PubChem CID832238
Molecular FormulaC16H15NO5S
Molecular Weight333.37 g/mol
Exact Mass333.07
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)O
InChIInChI=1S/C16H15NO5S/c1-22-15-7-6-12(10-13(15)16(18)19)23(20,21)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyQRJHADWFWDUEBC-UHFFFAOYSA-N
XLogP2.14
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
(4-acetylphenyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2710037
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
(4-oxo-4-phenylbutyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 42965543
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxybenzoic acid
CID 737522
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]methanone
CID 41022438
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2638520

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid (CID 832238) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)O.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid?
The InChIKey is QRJHADWFWDUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S/c1-22-15-7-6-12(10-13(15)16(18)19)23(20,21)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid has a molecular weight of 333.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid is sourced from PubChem (CID 832238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).