2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide

C14H13BrFNO3S — CID 62871190

IUPAC2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C14H13BrFNO3S/c1-9-7-11(20-2)4-5-13(9)17-21(18,19)14-6-3-10(16)8-12(14)15/h3-8,17H,1-2H3
InChIKeyBIXVYTCBEGGDJN-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.71
Rot. Bonds4

About 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide

2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide (PubChem CID 62871190) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide
PubChem CID62871190
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC Name2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c(C)c1
InChIInChI=1S/C14H13BrFNO3S/c1-9-7-11(20-2)4-5-13(9)17-21(18,19)14-6-3-10(16)8-12(14)15/h3-8,17H,1-2H3
InChIKeyBIXVYTCBEGGDJN-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-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
2-bromo-N-(4-bromo-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 47257455
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide (CID 62871190) is 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c(C)c1.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide?
The InChIKey is BIXVYTCBEGGDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-9-7-11(20-2)4-5-13(9)17-21(18,19)14-6-3-10(16)8-12(14)15/h3-8,17H,1-2H3.
What are the key properties of 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide 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 2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62871190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).