N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide

C21H16BrFN2O3S — CID 3605801

IUPACN-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H16BrFN2O3S/c22-16-6-8-17(9-7-16)24-21(26)15-5-10-18(23)20(13-15)29(27,28)25-12-11-14-3-1-2-4-19(14)25/h1-10,13H,11-12H2,(H,24,26)
InChIKeyUKQIHWSFYLMLOF-UHFFFAOYSA-N
MW475.34 g/mol
LogP4.59
Rot. Bonds4

About N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide

N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide (PubChem CID 3605801) has the molecular formula C21H16BrFN2O3S and a molecular weight of 475.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide
PubChem CID3605801
Molecular FormulaC21H16BrFN2O3S
Molecular Weight475.34 g/mol
Exact Mass474.00
IUPAC NameN-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H16BrFN2O3S/c22-16-6-8-17(9-7-16)24-21(26)15-5-10-18(23)20(13-15)29(27,28)25-12-11-14-3-1-2-4-19(14)25/h1-10,13H,11-12H2,(H,24,26)
InChIKeyUKQIHWSFYLMLOF-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide?
The IUPAC name of N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide (CID 3605801) is N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide is O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide?
The InChIKey is UKQIHWSFYLMLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN2O3S/c22-16-6-8-17(9-7-16)24-21(26)15-5-10-18(23)20(13-15)29(27,28)25-12-11-14-3-1-2-4-19(14)25/h1-10,13H,11-12H2,(H,24,26).
What are the key properties of N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide?
N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide has a molecular weight of 475.34 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-4-fluorobenzamide is sourced from PubChem (CID 3605801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).