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

C21H15Cl2FN2O3S — CID 4179169

IUPACN-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C21H15Cl2FN2O3S/c22-17-7-5-14(11-18(17)23)25-21(27)16-12-15(6-8-19(16)24)30(28,29)26-10-9-13-3-1-2-4-20(13)26/h1-8,11-12H,9-10H2,(H,25,27)
InChIKeySXHUJQXPDJEUBX-UHFFFAOYSA-N
MW465.33 g/mol
LogP5.14
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide (PubChem CID 4179169) has the molecular formula C21H15Cl2FN2O3S and a molecular weight of 465.33 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
PubChem CID4179169
Molecular FormulaC21H15Cl2FN2O3S
Molecular Weight465.33 g/mol
Exact Mass464.02
IUPAC NameN-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F
InChIInChI=1S/C21H15Cl2FN2O3S/c22-17-7-5-14(11-18(17)23)25-21(27)16-12-15(6-8-19(16)24)30(28,29)26-10-9-13-3-1-2-4-20(13)26/h1-8,11-12H,9-10H2,(H,25,27)
InChIKeySXHUJQXPDJEUBX-UHFFFAOYSA-N
XLogP5.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.33
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide (CID 4179169) is N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1F.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
The InChIKey is SXHUJQXPDJEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN2O3S/c22-17-7-5-14(11-18(17)23)25-21(27)16-12-15(6-8-19(16)24)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-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide?
N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide has a molecular weight of 465.33 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 4179169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).