2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide

C14H10F5NO2S — CID 22774539

IUPAC2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C14H10F5NO2S/c1-6-3-4-7(2)8(5-6)23(21,22)20-14-12(18)10(16)9(15)11(17)13(14)19/h3-5,20H,1-2H3
InChIKeyLERAAPIMIUVUNL-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.80
Rot. Bonds3

About 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide

2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide (PubChem CID 22774539) has the molecular formula C14H10F5NO2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
PubChem CID22774539
Molecular FormulaC14H10F5NO2S
Molecular Weight351.30 g/mol
Exact Mass351.04
IUPAC Name2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C14H10F5NO2S/c1-6-3-4-7(2)8(5-6)23(21,22)20-14-12(18)10(16)9(15)11(17)13(14)19/h3-5,20H,1-2H3
InChIKeyLERAAPIMIUVUNL-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
N'-(2-fluorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523599
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774165
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103907913
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide (CID 22774539) is 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide?
The InChIKey is LERAAPIMIUVUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO2S/c1-6-3-4-7(2)8(5-6)23(21,22)20-14-12(18)10(16)9(15)11(17)13(14)19/h3-5,20H,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide?
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide is sourced from PubChem (CID 22774539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).