2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide

C16H19NO5S — CID 110759298

IUPAC2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C16H19NO5S/c1-11-6-5-7-12(8-11)17-23(18,19)16-14(21-3)9-13(20-2)10-15(16)22-4/h5-10,17H,1-4H3
InChIKeyZVGYAVFQRFHPCO-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.82
Rot. Bonds6

About 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide

2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 110759298) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide
PubChem CID110759298
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C16H19NO5S/c1-11-6-5-7-12(8-11)17-23(18,19)16-14(21-3)9-13(20-2)10-15(16)22-4/h5-10,17H,1-4H3
InChIKeyZVGYAVFQRFHPCO-UHFFFAOYSA-N
XLogP2.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 779111
2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzenesulfonamide
CID 20703904
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
2,4,6-trimethoxybenzenesulfonohydrazide
CID 96666055

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide (CID 110759298) is 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide is COc1cc(OC)c(S(=O)(=O)Nc2cccc(C)c2)c(OC)c1.
What is the InChIKey of 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is ZVGYAVFQRFHPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-11-6-5-7-12(8-11)17-23(18,19)16-14(21-3)9-13(20-2)10-15(16)22-4/h5-10,17H,1-4H3.
What are the key properties of 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide?
2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 110759298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).