4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide

C14H13BrFNO3S — CID 103697417

IUPAC4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO3S/c1-17(13-5-3-4-6-14(13)20-2)21(18,19)10-7-8-11(15)12(16)9-10/h3-9H,1-2H3
InChIKeyVHNRPJZJHRHVAK-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.42
Rot. Bonds4

About 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide

4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 103697417) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID103697417
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC Name4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H13BrFNO3S/c1-17(13-5-3-4-6-14(13)20-2)21(18,19)10-7-8-11(15)12(16)9-10/h3-9H,1-2H3
InChIKeyVHNRPJZJHRHVAK-UHFFFAOYSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650335
4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697429
N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 100543133
2-chloro-N-(2-fluorophenyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 26115061
4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide
CID 34207194
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
methyl 2-[(4-bromo-3-methylphenyl)sulfonyl-methylamino]benzoate
CID 78830692
N-[1-(3,4-difluorophenyl)ethyl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-N,2-dimethylbenzamide
CID 55510143
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
CID 61061885
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide (CID 103697417) is 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is VHNRPJZJHRHVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-17(13-5-3-4-6-14(13)20-2)21(18,19)10-7-8-11(15)12(16)9-10/h3-9H,1-2H3.
What are the key properties of 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide?
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103697417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).