N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide

C14H13BrFNO3S — CID 39825061

IUPACN-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1F
InChIInChI=1S/C14H13BrFNO3S/c1-9-7-10(3-5-12(9)15)17-21(18,19)11-4-6-14(20-2)13(16)8-11/h3-8,17H,1-2H3
InChIKeyUBLHRAURFHZPRM-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.71
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 39825061) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID39825061
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC NameN-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1F
InChIInChI=1S/C14H13BrFNO3S/c1-9-7-10(3-5-12(9)15)17-21(18,19)11-4-6-14(20-2)13(16)8-11/h3-8,17H,1-2H3
InChIKeyUBLHRAURFHZPRM-UHFFFAOYSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161938
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
4-bromo-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 97162019
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369936

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 39825061) is N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1F.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is UBLHRAURFHZPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-9-7-10(3-5-12(9)15)17-21(18,19)11-4-6-14(20-2)13(16)8-11/h3-8,17H,1-2H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 39825061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).