5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide

C14H14FNO2S2 — CID 3600793

IUPAC5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1
InChIInChI=1S/C14H14FNO2S2/c1-10-3-4-11(15)9-14(10)20(17,18)16-12-5-7-13(19-2)8-6-12/h3-9,16H,1-2H3
InChIKeyYGKNJEDIEMNTTL-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.66
Rot. Bonds4

About 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide

5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 3600793) has the molecular formula C14H14FNO2S2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
PubChem CID3600793
Molecular FormulaC14H14FNO2S2
Molecular Weight311.40 g/mol
Exact Mass311.04
IUPAC Name5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1
InChIInChI=1S/C14H14FNO2S2/c1-10-3-4-11(15)9-14(10)20(17,18)16-12-5-7-13(19-2)8-6-12/h3-9,16H,1-2H3
InChIKeyYGKNJEDIEMNTTL-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
N-[4-(2-bromoethyl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114296416
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(4-fluorophenyl)-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 6456729
N-(3-amino-4-ethylphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43551076
N-(4-amino-3-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43604420
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
ethanol;5-fluoro-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 90485102
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide (CID 3600793) is 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide is CSc1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1.
What is the InChIKey of 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is YGKNJEDIEMNTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S2/c1-10-3-4-11(15)9-14(10)20(17,18)16-12-5-7-13(19-2)8-6-12/h3-9,16H,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide?
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 3600793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).