1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene

C16H18O4S — CID 23312101

IUPAC1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
SMILESCOc1cc(C)c(S(=O)(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C16H18O4S/c1-11-7-5-6-8-15(11)21(17,18)16-10-14(20-4)13(19-3)9-12(16)2/h5-10H,1-4H3
InChIKeyZBMGVSMVUKCKFC-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.15
Rot. Bonds4

About 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene

1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene (PubChem CID 23312101) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
PubChem CID23312101
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
SMILESCOc1cc(C)c(S(=O)(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C16H18O4S/c1-11-7-5-6-8-15(11)21(17,18)16-10-14(20-4)13(19-3)9-12(16)2/h5-10H,1-4H3
InChIKeyZBMGVSMVUKCKFC-UHFFFAOYSA-N
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
4,5-dimethoxy-2-methyl-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541458
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
CID 116852786
N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
CID 60609634
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
(2,3-dimethylphenyl) 2-bromo-4,5-dimethoxybenzenesulfonate
CID 46823320
4-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 39329827
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene?
The IUPAC name of 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene (CID 23312101) is 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene is COc1cc(C)c(S(=O)(=O)c2ccccc2C)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene?
The InChIKey is ZBMGVSMVUKCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-11-7-5-6-8-15(11)21(17,18)16-10-14(20-4)13(19-3)9-12(16)2/h5-10H,1-4H3.
What are the key properties of 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene?
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene has a molecular weight of 306.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 23312101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).