N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide

C9H10BrClFNO2S — CID 104922630

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H10BrClFNO2S/c1-5(2)16(14,15)13-9-7(10)3-6(12)4-8(9)11/h3-5,13H,1-2H3
InChIKeyLUDBPKUXNPDICS-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.39
Rot. Bonds3

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

N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide (PubChem CID 104922630) has the molecular formula C9H10BrClFNO2S and a molecular weight of 330.61 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide
PubChem CID104922630
Molecular FormulaC9H10BrClFNO2S
Molecular Weight330.61 g/mol
Exact Mass328.93
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C9H10BrClFNO2S/c1-5(2)16(14,15)13-9-7(10)3-6(12)4-8(9)11/h3-5,13H,1-2H3
InChIKeyLUDBPKUXNPDICS-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)methanesulfonamide
CID 22774632
N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
CID 60640158
N-(4-bromo-2-chlorophenyl)ethanesulfonamide
CID 17374358
N-(3-bromo-5-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 69810002
N-(2-bromo-4-chloro-6-fluorophenyl)methanesulfonamide
CID 89773707
N-(2-bromo-6-chloro-4-fluorophenyl)methanesulfonamide
CID 89775133
N-(2-bromo-6-fluorophenyl)ethanesulfonamide
CID 91195051
N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 122512209
N-(3-bromo-5-chloro-2-fluorophenyl)-N-propylsulfonylpropane-1-sulfonamide
CID 155434827
N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide
CID 155434841
N-(3-bromo-2-chloro-5-fluorophenyl)propane-1-sulfonamide
CID 155434953
N-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide
CID 172569909

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide (CID 104922630) is N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide?
The InChIKey is LUDBPKUXNPDICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFNO2S/c1-5(2)16(14,15)13-9-7(10)3-6(12)4-8(9)11/h3-5,13H,1-2H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)propane-2-sulfonamide has a molecular weight of 330.61 g/mol, XLogP of 3.39, 3 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)propane-2-sulfonamide is sourced from PubChem (CID 104922630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).