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

C10H12BrClFNO2S — CID 104922646

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H12BrClFNO2S/c1-6(2)5-17(15,16)14-10-8(11)3-7(13)4-9(10)12/h3-4,6,14H,5H2,1-2H3
InChIKeyLIIWVGMTQRXRAX-UHFFFAOYSA-N
MW344.63 g/mol
LogP3.64
Rot. Bonds4

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

N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide (PubChem CID 104922646) 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)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide
PubChem CID104922646
Molecular FormulaC10H12BrClFNO2S
Molecular Weight344.63 g/mol
Exact Mass342.94
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C10H12BrClFNO2S/c1-6(2)5-17(15,16)14-10-8(11)3-7(13)4-9(10)12/h3-4,6,14H,5H2,1-2H3
InChIKeyLIIWVGMTQRXRAX-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide
CID 178178713
N-(2-bromo-4,6-difluorophenyl)-3-chloropropane-1-sulfonamide
CID 43654224

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide (CID 104922646) is N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is LIIWVGMTQRXRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClFNO2S/c1-6(2)5-17(15,16)14-10-8(11)3-7(13)4-9(10)12/h3-4,6,14H,5H2,1-2H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 344.63 g/mol, XLogP of 3.64, 4 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)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 104922646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).