N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide

C22H16BrF3N2O3S — CID 4170554

IUPACN-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F
InChIInChI=1S/C22H16BrF3N2O3S/c23-17-10-14(24)11-19(26)21(17)27-22(29)16-12-15(7-8-18(16)25)32(30,31)28-9-3-5-13-4-1-2-6-20(13)28/h1-2,4,6-8,10-12H,3,5,9H2,(H,27,29)
InChIKeyMUFXGMGKJDZIEG-UHFFFAOYSA-N
MW525.35 g/mol
LogP5.26
Rot. Bonds4

About N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide

N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide (PubChem CID 4170554) has the molecular formula C22H16BrF3N2O3S and a molecular weight of 525.35 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
PubChem CID4170554
Molecular FormulaC22H16BrF3N2O3S
Molecular Weight525.35 g/mol
Exact Mass524.00
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F
InChIInChI=1S/C22H16BrF3N2O3S/c23-17-10-14(24)11-19(26)21(17)27-22(29)16-12-15(7-8-18(16)25)32(30,31)28-9-3-5-13-4-1-2-6-20(13)28/h1-2,4,6-8,10-12H,3,5,9H2,(H,27,29)
InChIKeyMUFXGMGKJDZIEG-UHFFFAOYSA-N
XLogP5.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.35
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
CID 4056630
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(3-fluorophenyl)benzamide
CID 4176225
N-(2-bromo-4,6-difluorophenyl)-2-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 4170549
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 4564323
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-hydroxyphenyl)benzamide
CID 43036265
2,5-dichloro-N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]benzamide
CID 17320187
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641
N-(3-acetamidophenyl)-2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 26114555
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
3-bromo-4-fluorobenzenesulfonyl chloride;1-(3-bromo-4-fluorophenyl)sulfonyl-2,3-dihydroindole
CID 158330118
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 86662347

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide (CID 4170554) is N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide is O=C(Nc1c(F)cc(F)cc1Br)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide?
The InChIKey is MUFXGMGKJDZIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrF3N2O3S/c23-17-10-14(24)11-19(26)21(17)27-22(29)16-12-15(7-8-18(16)25)32(30,31)28-9-3-5-13-4-1-2-6-20(13)28/h1-2,4,6-8,10-12H,3,5,9H2,(H,27,29).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide?
N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide has a molecular weight of 525.35 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluorobenzamide is sourced from PubChem (CID 4170554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).