2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide

C14H13F2NO3S2 — CID 71998236

IUPAC2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(S(C)=O)c(F)c2)c1
InChIInChI=1S/C14H13F2NO3S2/c1-9-3-5-11(15)14(7-9)22(19,20)17-10-4-6-13(21(2)18)12(16)8-10/h3-8,17H,1-2H3
InChIKeyRZCPQZCYINQPSN-UHFFFAOYSA-N
MW345.39 g/mol
LogP2.81
Rot. Bonds4

About 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide

2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide (PubChem CID 71998236) has the molecular formula C14H13F2NO3S2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide
PubChem CID71998236
Molecular FormulaC14H13F2NO3S2
Molecular Weight345.39 g/mol
Exact Mass345.03
IUPAC Name2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(S(C)=O)c(F)c2)c1
InChIInChI=1S/C14H13F2NO3S2/c1-9-3-5-11(15)14(7-9)22(19,20)17-10-4-6-13(21(2)18)12(16)8-10/h3-8,17H,1-2H3
InChIKeyRZCPQZCYINQPSN-UHFFFAOYSA-N
XLogP2.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 60531678
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide
CID 71927147
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 75535525
2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide (CID 71998236) is 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccc(S(C)=O)c(F)c2)c1.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide?
The InChIKey is RZCPQZCYINQPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3S2/c1-9-3-5-11(15)14(7-9)22(19,20)17-10-4-6-13(21(2)18)12(16)8-10/h3-8,17H,1-2H3.
What are the key properties of 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide?
2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide has a molecular weight of 345.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 71998236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).