4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide

C10H13BrFNO2S — CID 95246466

IUPAC4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h4-7,13H,3H2,1-2H3/t7-/m1/s1
InChIKeyYTHBHILQNWBHAZ-SSDOTTSWSA-N
MW310.19 g/mol
LogP2.66
Rot. Bonds4

About 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide

4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 95246466) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID95246466
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC Name4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H13BrFNO2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h4-7,13H,3H2,1-2H3/t7-/m1/s1
InChIKeyYTHBHILQNWBHAZ-SSDOTTSWSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 116528688
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
CID 47358633
4-bromo-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 116528836
4-bromo-N-(1-cyanobutan-2-yl)-2-fluorobenzenesulfonamide
CID 116527511
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
3-bromo-N-[(2S)-butan-2-yl]benzenesulfonamide
CID 7510199
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide (CID 95246466) is 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is YTHBHILQNWBHAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-3-7(2)13-16(14,15)10-5-4-8(11)6-9(10)12/h4-7,13H,3H2,1-2H3/t7-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide?
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 95246466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).