2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide

C14H13F2NO2S — CID 47155184

IUPAC2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H13F2NO2S/c1-10-3-2-4-11(7-10)9-17-20(18,19)14-8-12(15)5-6-13(14)16/h2-8,17H,9H2,1H3
InChIKeyILSGHWMUKMNLAK-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.75
Rot. Bonds4

About 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide

2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 47155184) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID47155184
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H13F2NO2S/c1-10-3-2-4-11(7-10)9-17-20(18,19)14-8-12(15)5-6-13(14)16/h2-8,17H,9H2,1H3
InChIKeyILSGHWMUKMNLAK-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

2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386078
N-[(3-cyanophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 61061992
N-[(3-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241692
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
N-[(2,5-difluorophenyl)methyl]-1-(3-methylphenyl)methanamine
CID 43312720

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 47155184) is 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide is Cc1cccc(CNS(=O)(=O)c2cc(F)ccc2F)c1.
What is the InChIKey of 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is ILSGHWMUKMNLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-10-3-2-4-11(7-10)9-17-20(18,19)14-8-12(15)5-6-13(14)16/h2-8,17H,9H2,1H3.
What are the key properties of 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide?
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide 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 2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 47155184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).