4-methoxy-3,5-dimethylbenzenesulfonamide

C9H13NO3S — CID 18962059

IUPAC4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C9H13NO3S/c1-6-4-8(14(10,11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyOGEFGTMOYPDNEG-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.96
Rot. Bonds2

About 4-methoxy-3,5-dimethylbenzenesulfonamide

4-methoxy-3,5-dimethylbenzenesulfonamide (PubChem CID 18962059) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethylbenzenesulfonamide
PubChem CID18962059
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-methoxy-3,5-dimethylbenzenesulfonamide
SMILESCOc1c(C)cc(S(N)(=O)=O)cc1C
InChIInChI=1S/C9H13NO3S/c1-6-4-8(14(10,11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyOGEFGTMOYPDNEG-UHFFFAOYSA-N
XLogP0.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
4-Methoxy-3-methylbenzenesulfonamide
CID 847787
4-methoxy-3-methyl-N-(1-methylbutyl)benzenesulfonamide
CID 2954109
N,3-ditert-butyl-4-methoxybenzenesulfonamide
CID 9267355
3,5-Dimethyl-4-methoxythiophenol
CID 2758578
2-Methoxybenzenemethanesulfonamide
CID 13266262
4-Methoxy-2-methylbenzenesulfonamide
CID 264648
N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 894026
4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 956299
N-allyl-4-methoxy-3-methylbenzenesulfonamide
CID 1750779
N-butyl-4-methoxy-3-methylbenzenesulfonamide
CID 1729061
2,3-Dihydro-1-benzofuran-5-sulfonamide
CID 10899619

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethylbenzenesulfonamide (CID 18962059) is 4-methoxy-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethylbenzenesulfonamide is COc1c(C)cc(S(N)(=O)=O)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethylbenzenesulfonamide?
The InChIKey is OGEFGTMOYPDNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-6-4-8(14(10,11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 4-methoxy-3,5-dimethylbenzenesulfonamide?
4-methoxy-3,5-dimethylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 18962059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).