2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

C18H23NO2S2 — CID 3496622

IUPAC2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H23NO2S2/c1-11-12(2)14(4)18(15(5)13(11)3)23(20,21)19-16-9-7-8-10-17(16)22-6/h7-10,19H,1-6H3
InChIKeyYXDQUWQNRYLABA-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.75
Rot. Bonds4

About 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide

2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 3496622) has the molecular formula C18H23NO2S2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID3496622
Molecular FormulaC18H23NO2S2
Molecular Weight349.52 g/mol
Exact Mass349.12
IUPAC Name2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C18H23NO2S2/c1-11-12(2)14(4)18(15(5)13(11)3)23(20,21)19-16-9-7-8-10-17(16)22-6/h7-10,19H,1-6H3
InChIKeyYXDQUWQNRYLABA-UHFFFAOYSA-N
XLogP4.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773407
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
4-bromo-2,6-dichloro-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 60640706
2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
CID 18133365
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 22775217
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61107273
2-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 35507846
N-[2-(4-chlorophenyl)sulfanylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22202209
N-(ethylsulfonimidoyl)-2-methylsulfanylaniline
CID 164648391
3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
CID 107642917
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 3496622) is 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is YXDQUWQNRYLABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S2/c1-11-12(2)14(4)18(15(5)13(11)3)23(20,21)19-16-9-7-8-10-17(16)22-6/h7-10,19H,1-6H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 349.52 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 3496622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).