5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide

C14H12BrClFNO3S — CID 3338013

IUPAC5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H12BrClFNO3S/c1-21-13-5-3-10(15)6-14(13)22(19,20)18-8-9-2-4-11(17)7-12(9)16/h2-7,18H,8H2,1H3
InChIKeyGEPHOBRBIHIIIZ-UHFFFAOYSA-N
MW408.68 g/mol
LogP3.73
Rot. Bonds5

About 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide

5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 3338013) has the molecular formula C14H12BrClFNO3S and a molecular weight of 408.68 g/mol. Its IUPAC name is 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
PubChem CID3338013
Molecular FormulaC14H12BrClFNO3S
Molecular Weight408.68 g/mol
Exact Mass406.94
IUPAC Name5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C14H12BrClFNO3S/c1-21-13-5-3-10(15)6-14(13)22(19,20)18-8-9-2-4-11(17)7-12(9)16/h2-7,18H,8H2,1H3
InChIKeyGEPHOBRBIHIIIZ-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.68
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 86984270
N-[(2-chloro-4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 3829600
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
2,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]thiophene-3-sulfonamide
CID 3768405
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836787
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxybenzenesulfonamide
CID 113282767
5-bromo-N-[2-(3,4-dichlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 3746979
5-bromo-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47158433
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide (CID 3338013) is 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is GEPHOBRBIHIIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO3S/c1-21-13-5-3-10(15)6-14(13)22(19,20)18-8-9-2-4-11(17)7-12(9)16/h2-7,18H,8H2,1H3.
What are the key properties of 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 408.68 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3338013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).