2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide

C15H13BrClFN2O3S — CID 95763345

IUPAC2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide
SMILESC[C@H](NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)c1ccccc1Cl
InChIInChI=1S/C15H13BrClFN2O3S/c1-8(10-4-2-3-5-12(10)17)20-15(21)11-6-9(18)7-13(14(11)16)24(19,22)23/h2-8H,1H3,(H,20,21)(H2,19,22,23)/t8-/m0/s1
InChIKeyQJYVVXBAUYZINZ-QMMMGPOBSA-N
MW435.70 g/mol
LogP3.38
Rot. Bonds4

About 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide

2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide (PubChem CID 95763345) has the molecular formula C15H13BrClFN2O3S and a molecular weight of 435.70 g/mol. Its IUPAC name is 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide
PubChem CID95763345
Molecular FormulaC15H13BrClFN2O3S
Molecular Weight435.70 g/mol
Exact Mass433.95
IUPAC Name2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide
SMILESC[C@H](NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)c1ccccc1Cl
InChIInChI=1S/C15H13BrClFN2O3S/c1-8(10-4-2-3-5-12(10)17)20-15(21)11-6-9(18)7-13(14(11)16)24(19,22)23/h2-8H,1H3,(H,20,21)(H2,19,22,23)/t8-/m0/s1
InChIKeyQJYVVXBAUYZINZ-QMMMGPOBSA-N
XLogP3.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.70
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
CID 65387490
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
N-[1-(2-chlorophenyl)ethyl]-4-sulfamoylbenzamide
CID 42910401
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
2-bromo-N-[1-(2-chlorophenyl)ethyl]-6-fluorobenzamide
CID 115678186
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 43297866
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide (CID 95763345) is 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide is C[C@H](NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)c1ccccc1Cl.
What is the InChIKey of 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide?
The InChIKey is QJYVVXBAUYZINZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13BrClFN2O3S/c1-8(10-4-2-3-5-12(10)17)20-15(21)11-6-9(18)7-13(14(11)16)24(19,22)23/h2-8H,1H3,(H,20,21)(H2,19,22,23)/t8-/m0/s1.
What are the key properties of 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide?
2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide has a molecular weight of 435.70 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide is sourced from PubChem (CID 95763345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).