4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide

C13H18BrFN2O3S — CID 106331541

IUPAC4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
SMILESCCC(C)(CC)NC(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H18BrFN2O3S/c1-4-13(3,5-2)17-12(18)8-6-9(15)11(14)10(7-8)21(16,19)20/h6-7H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyQBKPWFQNEHGONI-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.54
Rot. Bonds5

About 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide

4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide (PubChem CID 106331541) has the molecular formula C13H18BrFN2O3S and a molecular weight of 381.27 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
PubChem CID106331541
Molecular FormulaC13H18BrFN2O3S
Molecular Weight381.27 g/mol
Exact Mass380.02
IUPAC Name4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
SMILESCCC(C)(CC)NC(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C13H18BrFN2O3S/c1-4-13(3,5-2)17-12(18)8-6-9(15)11(14)10(7-8)21(16,19)20/h6-7H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeyQBKPWFQNEHGONI-UHFFFAOYSA-N
XLogP2.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide
CID 65374812
4-amino-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
CID 106331348
4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374272
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993
2-ethoxyethyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65381249
3-methoxypropyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65382042
3-methylbutyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65380255
3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide
CID 64550324
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
N-(1-bromo-2-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114314455
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide (CID 106331541) is 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide is CCC(C)(CC)NC(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide?
The InChIKey is QBKPWFQNEHGONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O3S/c1-4-13(3,5-2)17-12(18)8-6-9(15)11(14)10(7-8)21(16,19)20/h6-7H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide?
4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide has a molecular weight of 381.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 106331541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).