N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide

C10H12BrClFNO2S — CID 107095513

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H12BrClFNO2S/c1-2-3-4-17(15,16)14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4H2,1H3
InChIKeyCOJGWJSIIKBKJK-UHFFFAOYSA-N
MW344.63 g/mol
LogP3.78
Rot. Bonds5

About N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide (PubChem CID 107095513) has the molecular formula C10H12BrClFNO2S and a molecular weight of 344.63 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
PubChem CID107095513
Molecular FormulaC10H12BrClFNO2S
Molecular Weight344.63 g/mol
Exact Mass342.94
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H12BrClFNO2S/c1-2-3-4-17(15,16)14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4H2,1H3
InChIKeyCOJGWJSIIKBKJK-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106087709
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147
N-(2-chloro-4,6-difluorophenyl)propane-1-sulfonamide
CID 83088363
N-(2,6-dichloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106075621
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide
CID 107612174
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 107612698
4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
CID 114141795
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
N-(2,6-dichloro-4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 83079123
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide (CID 107095513) is N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide?
The InChIKey is COJGWJSIIKBKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClFNO2S/c1-2-3-4-17(15,16)14-10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4H2,1H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide has a molecular weight of 344.63 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 107095513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).