N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide

C13H10BrClFNO2S — CID 47387730

IUPACN-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c1-17(12-7-6-9(14)8-11(12)16)20(18,19)13-5-3-2-4-10(13)15/h2-8H,1H3
InChIKeyFATLRDKZVLKXDW-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.07
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide

N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide (PubChem CID 47387730) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide
PubChem CID47387730
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c1-17(12-7-6-9(14)8-11(12)16)20(18,19)13-5-3-2-4-10(13)15/h2-8H,1H3
InChIKeyFATLRDKZVLKXDW-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 60596902
N-(4-bromo-2-fluorophenyl)-2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 60580518
N-(3-aminophenyl)-4-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 116527243
2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
CID 21284138
2-chloro-4-cyano-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 103988558
N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
CID 104556414
N-(4-aminophenyl)-4-bromo-2-chloro-N-methylbenzenesulfonamide
CID 28941589
4-chloro-2-fluoro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154747396
3,4-dichloro-5-[(2-fluorophenyl)-methylsulfamoyl]benzoic acid
CID 154748258
4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
CID 103480213
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide (CID 47387730) is N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide is CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide?
The InChIKey is FATLRDKZVLKXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c1-17(12-7-6-9(14)8-11(12)16)20(18,19)13-5-3-2-4-10(13)15/h2-8H,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide?
N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 47387730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).