4,5-dimethoxy-2-methylbenzenesulfonamide

C9H13NO4S — CID 35299033

IUPAC4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(N)(=O)=O)cc1OC
InChIInChI=1S/C9H13NO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyILIDHKYQCNECHQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP0.66
Rot. Bonds3

About 4,5-dimethoxy-2-methylbenzenesulfonamide

4,5-dimethoxy-2-methylbenzenesulfonamide (PubChem CID 35299033) has the molecular formula C9H13NO4S and a molecular weight of 231.27 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-methylbenzenesulfonamide
PubChem CID35299033
Molecular FormulaC9H13NO4S
Molecular Weight231.27 g/mol
Exact Mass231.06
IUPAC Name4,5-dimethoxy-2-methylbenzenesulfonamide
SMILESCOc1cc(C)c(S(N)(=O)=O)cc1OC
InChIInChI=1S/C9H13NO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyILIDHKYQCNECHQ-UHFFFAOYSA-N
XLogP0.66
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2,4,5-trimethylbenzenesulfonamide
CID 961422
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonamide
CID 43164561
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
2-(4,5-dimethoxy-2-methylphenyl)sulfonylethanol
CID 116852786
1,2-dimethoxy-4-methyl-5-(2-methylphenyl)sulfonylbenzene
CID 23312101
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
4-cyano-2-methoxy-5-methylbenzenesulfonamide
CID 171026986

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methylbenzenesulfonamide?
The IUPAC name of 4,5-dimethoxy-2-methylbenzenesulfonamide (CID 35299033) is 4,5-dimethoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for 4,5-dimethoxy-2-methylbenzenesulfonamide?
The canonical SMILES for 4,5-dimethoxy-2-methylbenzenesulfonamide is COc1cc(C)c(S(N)(=O)=O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methylbenzenesulfonamide?
The InChIKey is ILIDHKYQCNECHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S/c1-6-4-7(13-2)8(14-3)5-9(6)15(10,11)12/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 4,5-dimethoxy-2-methylbenzenesulfonamide?
4,5-dimethoxy-2-methylbenzenesulfonamide has a molecular weight of 231.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 35299033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).