N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide

C17H19F2NO2S — CID 3857944

IUPACN-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(F)cc2F)c1C
InChIInChI=1S/C17H19F2NO2S/c1-10-8-11(2)13(4)17(12(10)3)23(21,22)20(5)16-7-6-14(18)9-15(16)19/h6-9H,1-5H3
InChIKeyUEVMQHOENNKQLY-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.02
Rot. Bonds3

About N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide

N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide (PubChem CID 3857944) has the molecular formula C17H19F2NO2S and a molecular weight of 339.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
PubChem CID3857944
Molecular FormulaC17H19F2NO2S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC NameN-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(F)cc2F)c1C
InChIInChI=1S/C17H19F2NO2S/c1-10-8-11(2)13(4)17(12(10)3)23(21,22)20(5)16-7-6-14(18)9-15(16)19/h6-9H,1-5H3
InChIKeyUEVMQHOENNKQLY-UHFFFAOYSA-N
XLogP4.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 3853010
N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
2-[(2,5-difluorophenyl)sulfonyl-methylamino]-5-fluorobenzoic acid
CID 167809373
4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 167828829
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
2-(2,4-difluoro-N-sulfoanilino)-2-methylpropanoic acid
CID 174719384
N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 8798342
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
2,5-difluoro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 60589332

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide (CID 3857944) is N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(F)cc2F)c1C.
What is the InChIKey of N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
The InChIKey is UEVMQHOENNKQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2S/c1-10-8-11(2)13(4)17(12(10)3)23(21,22)20(5)16-7-6-14(18)9-15(16)19/h6-9H,1-5H3.
What are the key properties of N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide?
N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N,2,3,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 3857944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).