2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid

C23H17ClN2O6S — CID 87979138

IUPAC2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid
SMILESO=Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4cc(Cl)ccc43)c2)c(C(=O)O)c1
InChIInChI=1S/C23H17ClN2O6S/c24-17-5-7-21-15(11-17)8-9-26(21)33(31,32)18-3-1-2-16(12-18)22(28)25-20-6-4-14(13-27)10-19(20)23(29)30/h1-7,10-13H,8-9H2,(H,25,28)(H,29,30)
InChIKeyUZMBSGGRSDCXIW-UHFFFAOYSA-N
MW484.92 g/mol
LogP3.85
Rot. Bonds6

About 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid

2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid (PubChem CID 87979138) has the molecular formula C23H17ClN2O6S and a molecular weight of 484.92 g/mol. Its IUPAC name is 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid.

Molecular Properties

Compound Name2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid
PubChem CID87979138
Molecular FormulaC23H17ClN2O6S
Molecular Weight484.92 g/mol
Exact Mass484.05
IUPAC Name2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid
SMILESO=Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4cc(Cl)ccc43)c2)c(C(=O)O)c1
InChIInChI=1S/C23H17ClN2O6S/c24-17-5-7-21-15(11-17)8-9-26(21)33(31,32)18-3-1-2-16(12-18)22(28)25-20-6-4-14(13-27)10-19(20)23(29)30/h1-7,10-13H,8-9H2,(H,25,28)(H,29,30)
InChIKeyUZMBSGGRSDCXIW-UHFFFAOYSA-N
XLogP3.85
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.92
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-[(Z)-hydroxyiminomethyl]benzoic acid
CID 131738048
2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-(nitrosomethyl)benzoic acid
CID 91236954
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
1-(4-chlorophenyl)sulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100765733
N-(5-chloro-2-phenoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 100766221
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
5-butanoyl-2-[[4-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]benzoic acid
CID 10256346
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
CID 46262859

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid?
The IUPAC name of 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid (CID 87979138) is 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid.
What is the SMILES notation for 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid?
The canonical SMILES for 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid is O=Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4cc(Cl)ccc43)c2)c(C(=O)O)c1.
What is the InChIKey of 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid?
The InChIKey is UZMBSGGRSDCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O6S/c24-17-5-7-21-15(11-17)8-9-26(21)33(31,32)18-3-1-2-16(12-18)22(28)25-20-6-4-14(13-27)10-19(20)23(29)30/h1-7,10-13H,8-9H2,(H,25,28)(H,29,30).
What are the key properties of 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid?
2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid has a molecular weight of 484.92 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-chloro-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]-5-formylbenzoic acid is sourced from PubChem (CID 87979138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).