5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide

C21H16F2N2O3S — CID 4176225

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C21H16F2N2O3S/c22-15-5-3-6-16(12-15)24-21(26)18-13-17(8-9-19(18)23)29(27,28)25-11-10-14-4-1-2-7-20(14)25/h1-9,12-13H,10-11H2,(H,24,26)
InChIKeyHMNYGAQUKJORDK-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.97
Rot. Bonds4

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide (PubChem CID 4176225) has the molecular formula C21H16F2N2O3S and a molecular weight of 414.43 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
PubChem CID4176225
Molecular FormulaC21H16F2N2O3S
Molecular Weight414.43 g/mol
Exact Mass414.08
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C21H16F2N2O3S/c22-15-5-3-6-16(12-15)24-21(26)18-13-17(8-9-19(18)23)29(27,28)25-11-10-14-4-1-2-7-20(14)25/h1-9,12-13H,10-11H2,(H,24,26)
InChIKeyHMNYGAQUKJORDK-UHFFFAOYSA-N
XLogP3.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide 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

N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
CID 4056630
N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
CID 4170554
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 26114555
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 4564323
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
CID 4129269
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-yl]benzamide
CID 122190171
N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-fluorobenzamide
CID 4950375
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide (CID 4176225) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide?
The InChIKey is HMNYGAQUKJORDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3S/c22-15-5-3-6-16(12-15)24-21(26)18-13-17(8-9-19(18)23)29(27,28)25-11-10-14-4-1-2-7-20(14)25/h1-9,12-13H,10-11H2,(H,24,26).
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide has a molecular weight of 414.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 4176225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).