N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide

C12H17BrFNO2S — CID 107640853

IUPACN-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFNO2S/c1-12(2,3)6-7-18(16,17)15-11-8-9(14)4-5-10(11)13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyOMWVLLQKHFORSI-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.77
Rot. Bonds4

About N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide

N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 107640853) has the molecular formula C12H17BrFNO2S and a molecular weight of 338.24 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID107640853
Molecular FormulaC12H17BrFNO2S
Molecular Weight338.24 g/mol
Exact Mass337.01
IUPAC NameN-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C12H17BrFNO2S/c1-12(2,3)6-7-18(16,17)15-11-8-9(14)4-5-10(11)13/h4-5,8,15H,6-7H2,1-3H3
InChIKeyOMWVLLQKHFORSI-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107629618
2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide
CID 107626087
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107624704
2-bromo-N-(5,5-dimethylhexan-2-yl)-5-fluoroaniline
CID 114279957
N-(4-amino-2,5-dimethylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520904
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
4-(2-bromo-5-fluoroanilino)-2-methylbutan-2-ol
CID 104952393
N-(2-iodophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103727880
4-fluoro-2-(3-methylbutylsulfonylamino)benzenesulfonamide
CID 63855523
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
N-(2-bromo-5-fluorophenyl)-4-propylbenzenesulfonamide
CID 107640872

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide (CID 107640853) is N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is OMWVLLQKHFORSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO2S/c1-12(2,3)6-7-18(16,17)15-11-8-9(14)4-5-10(11)13/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide?
N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 338.24 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 107640853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).