2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid

C17H14N2O4S — CID 56793540

IUPAC2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)N2CC(CC(=O)O)c3ccccc32)cc1
InChIInChI=1S/C17H14N2O4S/c18-10-12-5-7-14(8-6-12)24(22,23)19-11-13(9-17(20)21)15-3-1-2-4-16(15)19/h1-8,13H,9,11H2,(H,20,21)
InChIKeyHXZWZXJQDQKEMG-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.33
Rot. Bonds4

About 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid

2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 56793540) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
PubChem CID56793540
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
SMILESN#Cc1ccc(S(=O)(=O)N2CC(CC(=O)O)c3ccccc32)cc1
InChIInChI=1S/C17H14N2O4S/c18-10-12-5-7-14(8-6-12)24(22,23)19-11-13(9-17(20)21)15-3-1-2-4-16(15)19/h1-8,13H,9,11H2,(H,20,21)
InChIKeyHXZWZXJQDQKEMG-UHFFFAOYSA-N
XLogP2.33
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-Cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
CID 56793538
2-[1-(3-Fluorophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
CID 56806401
3-[4-[(6-Fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 53625885
2-(4-spiro[2H-indole-3,1'-cyclopropane]-1-ylsulfonylphenyl)acetic acid
CID 91643973
1-[4-(Trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 60331984
1-(4-Tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid
CID 66846059
1-(4-Ethylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-3-carboxylic acid
CID 68392076
(2S)-1-[4-(2,4-difluorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69213453
(2S)-1-[4-(4-fluorophenyl)phenyl]sulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 69214839
2-[5-Fluoro-2-methyl-1-(4-pyrrolidin-1-ylsulfinylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
CID 69804551
2-[5-Fluoro-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid
CID 69804554
2-[5-fluoro-2-methyl-1-[4-(N,3,5-trimethylanilino)phenyl]sulfonyl-2,3-dihydroindol-3-yl]acetic acid
CID 69805405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid (CID 56793540) is 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid is N#Cc1ccc(S(=O)(=O)N2CC(CC(=O)O)c3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is HXZWZXJQDQKEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c18-10-12-5-7-14(8-6-12)24(22,23)19-11-13(9-17(20)21)15-3-1-2-4-16(15)19/h1-8,13H,9,11H2,(H,20,21).
What are the key properties of 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 342.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 56793540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).