2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide

C10H12BrFN2O3S — CID 65375937

IUPAC2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
SMILESCC(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Br
InChIInChI=1S/C10H12BrFN2O3S/c1-5(2)14-10(15)6-3-9(18(13,16)17)8(12)4-7(6)11/h3-5H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyBKIDNIKQLMIIJQ-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.37
Rot. Bonds3

About 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide

2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide (PubChem CID 65375937) has the molecular formula C10H12BrFN2O3S and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
PubChem CID65375937
Molecular FormulaC10H12BrFN2O3S
Molecular Weight339.19 g/mol
Exact Mass337.97
IUPAC Name2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
SMILESCC(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Br
InChIInChI=1S/C10H12BrFN2O3S/c1-5(2)14-10(15)6-3-9(18(13,16)17)8(12)4-7(6)11/h3-5H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyBKIDNIKQLMIIJQ-UHFFFAOYSA-N
XLogP1.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
4-bromo-2-fluoro-5-(2-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 65371585
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
CID 65387490
2-chloro-4-fluoro-N-pentan-2-yl-5-sulfamoylbenzamide
CID 65373984
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-3-propan-2-ylurea
CID 116646379
N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
CID 65375638
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide (CID 65375937) is 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide is CC(C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide?
The InChIKey is BKIDNIKQLMIIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O3S/c1-5(2)14-10(15)6-3-9(18(13,16)17)8(12)4-7(6)11/h3-5H,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide?
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide has a molecular weight of 339.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 65375937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).