3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C15H12NO4S- — CID 7062520

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESO=C([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C15H13NO4S/c17-15(18)12-5-3-6-13(10-12)21(19,20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2,(H,17,18)/p-1
InChIKeyVLBSLQVQWAJURT-UHFFFAOYSA-M
MW302.33 g/mol
LogP0.80
Rot. Bonds3

About 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 7062520) has the molecular formula C15H12NO4S- and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID7062520
Molecular FormulaC15H12NO4S-
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESO=C([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C15H13NO4S/c17-15(18)12-5-3-6-13(10-12)21(19,20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2,(H,17,18)/p-1
InChIKeyVLBSLQVQWAJURT-UHFFFAOYSA-M
XLogP0.80
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
(4-benzoylphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2407728
(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2556963
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 9204709
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 7062520) is 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is VLBSLQVQWAJURT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13NO4S/c17-15(18)12-5-3-6-13(10-12)21(19,20)16-9-8-11-4-1-2-7-14(11)16/h1-7,10H,8-9H2,(H,17,18)/p-1.
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 302.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 7062520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).