N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide

C21H15BrF2N2O3S — CID 4056630

IUPACN-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C21H15BrF2N2O3S/c22-14-5-8-19(18(24)11-14)25-21(27)16-12-15(6-7-17(16)23)30(28,29)26-10-9-13-3-1-2-4-20(13)26/h1-8,11-12H,9-10H2,(H,25,27)
InChIKeyBROUDJSXHWLOQZ-UHFFFAOYSA-N
MW493.33 g/mol
LogP4.73
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide

N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide (PubChem CID 4056630) has the molecular formula C21H15BrF2N2O3S and a molecular weight of 493.33 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
PubChem CID4056630
Molecular FormulaC21H15BrF2N2O3S
Molecular Weight493.33 g/mol
Exact Mass492.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C21H15BrF2N2O3S/c22-14-5-8-19(18(24)11-14)25-21(27)16-12-15(6-7-17(16)23)30(28,29)26-10-9-13-3-1-2-4-20(13)26/h1-8,11-12H,9-10H2,(H,25,27)
InChIKeyBROUDJSXHWLOQZ-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.33
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
CID 4176225
N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
CID 4170554
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 4564323
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 22519166
3-bromo-4-fluorobenzenesulfonyl chloride;1-(3-bromo-4-fluorophenyl)sulfonyl-2,3-dihydroindole
CID 158330118
2-chloro-N-(4-chloro-2-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 16552954
2,4-dichloro-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]benzamide
CID 1010318
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
N-(4-bromo-2-fluorophenyl)-5-(cycloheptylsulfamoyl)-2-fluorobenzamide
CID 25046549
N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-2-fluorobenzamide
CID 4950375
5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,5-dimethylphenyl)-2-fluorobenzamide
CID 4279790
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide (CID 4056630) is N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide is O=C(Nc1ccc(Br)cc1F)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The InChIKey is BROUDJSXHWLOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrF2N2O3S/c22-14-5-8-19(18(24)11-14)25-21(27)16-12-15(6-7-17(16)23)30(28,29)26-10-9-13-3-1-2-4-20(13)26/h1-8,11-12H,9-10H2,(H,25,27).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide has a molecular weight of 493.33 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 4056630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).