5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide

C23H26N2O4S2 — CID 2955900

IUPAC5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)cc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N2O4S2/c1-16-10-9-11-17(2)23(16)24-30(26,27)22-15-21(18(3)14-19(22)4)25(5)31(28,29)20-12-7-6-8-13-20/h6-15,24H,1-5H3
InChIKeyZWQYEJRACDSWTM-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.55
Rot. Bonds6

About 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide

5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 2955900) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID2955900
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC Name5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)cc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N2O4S2/c1-16-10-9-11-17(2)23(16)24-30(26,27)22-15-21(18(3)14-19(22)4)25(5)31(28,29)20-12-7-6-8-13-20/h6-15,24H,1-5H3
InChIKeyZWQYEJRACDSWTM-UHFFFAOYSA-N
XLogP4.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 2937162
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
3-[benzenesulfonyl(methyl)amino]-4-methylbenzoic acid
CID 100552976
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 71945704
4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide
CID 50946608
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126335731
3,4-dimethyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 26980942
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-N-methylbenzenesulfonamide
CID 142017251
N-(2,6-dimethylphenyl)-2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
CID 16805346

Frequently Asked Questions

What is the IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide (CID 2955900) is 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2c(C)cccc2C)cc1N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is ZWQYEJRACDSWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-16-10-9-11-17(2)23(16)24-30(26,27)22-15-21(18(3)14-19(22)4)25(5)31(28,29)20-12-7-6-8-13-20/h6-15,24H,1-5H3.
What are the key properties of 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide?
5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 458.61 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2955900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).