4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide

C12H16BrFN2O3S — CID 65374809

IUPAC4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
SMILESCC(C)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F
InChIInChI=1S/C12H16BrFN2O3S/c1-7(2)3-4-16-12(17)8-5-11(20(15,18)19)9(13)6-10(8)14/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyTVQAMUUCHSSHMM-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.01
Rot. Bonds5

About 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide

4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide (PubChem CID 65374809) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
PubChem CID65374809
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC Name4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
SMILESCC(C)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F
InChIInChI=1S/C12H16BrFN2O3S/c1-7(2)3-4-16-12(17)8-5-11(20(15,18)19)9(13)6-10(8)14/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyTVQAMUUCHSSHMM-UHFFFAOYSA-N
XLogP2.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388148
4-bromo-N-(3-methylbutyl)-3-sulfamoylbenzamide
CID 38768051
N-(3-methylbutyl)-2-sulfamoylbenzamide
CID 43164717
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350
2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide
CID 113480656
propyl 4-bromo-2-fluoro-5-sulfamoylbenzoate
CID 65379597
4-bromo-2,5-difluoro-N-propylbenzamide
CID 146035179
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
tert-butyl 4-bromo-2-fluoro-5-sulfamoylbenzoate
CID 65382446

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide (CID 65374809) is 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide is CC(C)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide?
The InChIKey is TVQAMUUCHSSHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c1-7(2)3-4-16-12(17)8-5-11(20(15,18)19)9(13)6-10(8)14/h5-7H,3-4H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide?
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide has a molecular weight of 367.24 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65374809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).