2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide

C13H18BrFN2O3S — CID 65387490

IUPAC2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
SMILESCCCCC(C)NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C13H18BrFN2O3S/c1-3-4-5-8(2)17-13(18)10-6-9(15)7-11(12(10)14)21(16,19)20/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyKBUMWNPOYMKAQK-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.54
Rot. Bonds6

About 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide

2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide (PubChem CID 65387490) has the molecular formula C13H18BrFN2O3S and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
PubChem CID65387490
Molecular FormulaC13H18BrFN2O3S
Molecular Weight381.27 g/mol
Exact Mass380.02
IUPAC Name2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
SMILESCCCCC(C)NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C13H18BrFN2O3S/c1-3-4-5-8(2)17-13(18)10-6-9(15)7-11(12(10)14)21(16,19)20/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyKBUMWNPOYMKAQK-UHFFFAOYSA-N
XLogP2.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701174
2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
CID 115764551
2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide
CID 95763345
2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 63931433
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
4-methylpentan-2-yl 2-bromo-5-fluoro-3-sulfamoylbenzoate
CID 65380038
N-hexan-2-yl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387104
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
5-(hexan-2-ylcarbamoyl)-2,4-dimethylbenzenesulfonyl chloride
CID 65396813

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide (CID 65387490) is 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide is CCCCC(C)NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide?
The InChIKey is KBUMWNPOYMKAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O3S/c1-3-4-5-8(2)17-13(18)10-6-9(15)7-11(12(10)14)21(16,19)20/h6-8H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide?
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide has a molecular weight of 381.27 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide is sourced from PubChem (CID 65387490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).