2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide

C11H14BrFN2O4S2 — CID 115764551

IUPAC2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
SMILESCC(CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)S(C)=O
InChIInChI=1S/C11H14BrFN2O4S2/c1-6(20(2)17)5-15-11(16)8-3-7(13)4-9(10(8)12)21(14,18)19/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,18,19)
InChIKeyHJFDNFASSZQSFF-UHFFFAOYSA-N
MW401.28 g/mol
LogP0.73
Rot. Bonds5

About 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide

2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide (PubChem CID 115764551) has the molecular formula C11H14BrFN2O4S2 and a molecular weight of 401.28 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
PubChem CID115764551
Molecular FormulaC11H14BrFN2O4S2
Molecular Weight401.28 g/mol
Exact Mass399.96
IUPAC Name2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
SMILESCC(CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)S(C)=O
InChIInChI=1S/C11H14BrFN2O4S2/c1-6(20(2)17)5-15-11(16)8-3-7(13)4-9(10(8)12)21(14,18)19/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,18,19)
InChIKeyHJFDNFASSZQSFF-UHFFFAOYSA-N
XLogP0.73
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701174
2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 63931433
5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 113484536
5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
CID 113483959
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
CID 65387490
3-chloro-5-fluoro-2-hydroxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]benzamide
CID 97241880
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
4-methylpentan-2-yl 2-bromo-5-fluoro-3-sulfamoylbenzoate
CID 65380038
2-bromo-N-(2,2-dimethylcyclopropyl)-5-fluoro-3-sulfamoylbenzamide
CID 63932506
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 63932911
2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide
CID 95763345
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide (CID 115764551) is 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide is CC(CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)S(C)=O.
What is the InChIKey of 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide?
The InChIKey is HJFDNFASSZQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O4S2/c1-6(20(2)17)5-15-11(16)8-3-7(13)4-9(10(8)12)21(14,18)19/h3-4,6H,5H2,1-2H3,(H,15,16)(H2,14,18,19).
What are the key properties of 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide?
2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide has a molecular weight of 401.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 115764551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).