3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide

C14H13F2NO2S — CID 39620815

IUPAC3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1F
InChIInChI=1S/C14H13F2NO2S/c1-10-6-7-12(8-14(10)16)20(18,19)17-9-11-4-2-3-5-13(11)15/h2-8,17H,9H2,1H3
InChIKeyKBDYICLOPZXMBC-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.75
Rot. Bonds4

About 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide

3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 39620815) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID39620815
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1F
InChIInChI=1S/C14H13F2NO2S/c1-10-6-7-12(8-14(10)16)20(18,19)17-9-11-4-2-3-5-13(11)15/h2-8,17H,9H2,1H3
InChIKeyKBDYICLOPZXMBC-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
4-amino-3-fluoro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 82843640
3-fluoro-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896485
1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 1455204
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35300449
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 28717278
2-chloro-5-[(2-fluorophenyl)methylsulfamoyl]benzoic acid
CID 45411146
3-chloro-4-cyano-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 115588749
N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760792
3-fluoro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 39634777

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide (CID 39620815) is 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2F)cc1F.
What is the InChIKey of 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is KBDYICLOPZXMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-10-6-7-12(8-14(10)16)20(18,19)17-9-11-4-2-3-5-13(11)15/h2-8,17H,9H2,1H3.
What are the key properties of 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide?
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 297.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 39620815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).