N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide

C14H11F4NO2S — CID 31818139

IUPACN-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F4NO2S/c1-19(8-9-2-3-10(15)6-13(9)17)22(20,21)11-4-5-12(16)14(18)7-11/h2-7H,8H2,1H3
InChIKeyCVZAVDZVUYSJKB-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.06
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide

N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 31818139) has the molecular formula C14H11F4NO2S and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
PubChem CID31818139
Molecular FormulaC14H11F4NO2S
Molecular Weight333.31 g/mol
Exact Mass333.04
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F4NO2S/c1-19(8-9-2-3-10(15)6-13(9)17)22(20,21)11-4-5-12(16)14(18)7-11/h2-7H,8H2,1H3
InChIKeyCVZAVDZVUYSJKB-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 31818108
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-nitrobenzenesulfonamide
CID 31818110
1-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylmethanesulfonamide
CID 83084049
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
(3E)-3-benzylidene-N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-2-oxoindole-5-sulfonamide
CID 162525045
N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 9302132
3-[(2,4-difluorophenyl)methyl-methylsulfamoyl]propanoic acid
CID 60950172
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 47096592
N-[(2,4-difluorophenyl)methyl]-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 31818327
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 54992099
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide (CID 31818139) is N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is CVZAVDZVUYSJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2S/c1-19(8-9-2-3-10(15)6-13(9)17)22(20,21)11-4-5-12(16)14(18)7-11/h2-7H,8H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide?
N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 333.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 31818139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).