N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide

C14H13F2NO2S — CID 3680647

IUPACN-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2NO2S/c1-10-4-2-5-11(8-10)20(18,19)17-9-12-13(15)6-3-7-14(12)16/h2-8,17H,9H2,1H3
InChIKeyZYFIMUJROUQQDD-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.75
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide

N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 3680647) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID3680647
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2NO2S/c1-10-4-2-5-11(8-10)20(18,19)17-9-12-13(15)6-3-7-14(12)16/h2-8,17H,9H2,1H3
InChIKeyZYFIMUJROUQQDD-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

N-[[4-(2-aminoethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 62502158
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
N-[(4-bromophenyl)methyl]-3-methylbenzenesulfonamide
CID 4994624
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728
N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3596534
3-methyl-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110738003
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide (CID 3680647) is N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2c(F)cccc2F)c1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is ZYFIMUJROUQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-10-4-2-5-11(8-10)20(18,19)17-9-12-13(15)6-3-7-14(12)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide?
N-[(2,6-difluorophenyl)methyl]-3-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 N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3680647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).