N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

C19H25NO2S — CID 3350603

IUPACN-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)cc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C19H25NO2S/c1-12-7-13(2)9-18(8-12)11-20-23(21,22)19-16(5)14(3)10-15(4)17(19)6/h7-10,20H,11H2,1-6H3
InChIKeyHHEWYGYXYVXFKN-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.02
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 3350603) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID3350603
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)cc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C19H25NO2S/c1-12-7-13(2)9-18(8-12)11-20-23(21,22)19-16(5)14(3)10-15(4)17(19)6/h7-10,20H,11H2,1-6H3
InChIKeyHHEWYGYXYVXFKN-UHFFFAOYSA-N
XLogP4.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191339
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852335
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate
CID 4157565
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3326283
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-(3,3-difluoro-2-hydroxypropyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 103836871
2,3,5,6-tetramethyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659681
2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 52616778
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 60530891
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206016
N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 19681252

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 3350603) is N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)cc(CNS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is HHEWYGYXYVXFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-12-7-13(2)9-18(8-12)11-20-23(21,22)19-16(5)14(3)10-15(4)17(19)6/h7-10,20H,11H2,1-6H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 3350603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).