2-methoxy-1-methyl-3-(sulfonylamino)benzene

C8H9NO3S — CID 175910756

IUPAC2-methoxy-1-methyl-3-(sulfonylamino)benzene
SMILESCOc1c(C)cccc1N=S(=O)=O
InChIInChI=1S/C8H9NO3S/c1-6-4-3-5-7(8(6)12-2)9-13(10)11/h3-5H,1-2H3
InChIKeyIGZGYNFMWLZGAL-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.70
Rot. Bonds2

About 2-methoxy-1-methyl-3-(sulfonylamino)benzene

2-methoxy-1-methyl-3-(sulfonylamino)benzene (PubChem CID 175910756) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-methoxy-1-methyl-3-(sulfonylamino)benzene.

Molecular Properties

Compound Name2-methoxy-1-methyl-3-(sulfonylamino)benzene
PubChem CID175910756
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name2-methoxy-1-methyl-3-(sulfonylamino)benzene
SMILESCOc1c(C)cccc1N=S(=O)=O
InChIInChI=1S/C8H9NO3S/c1-6-4-3-5-7(8(6)12-2)9-13(10)11/h3-5H,1-2H3
InChIKeyIGZGYNFMWLZGAL-UHFFFAOYSA-N
XLogP1.70
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-methoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanimine
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carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027
2-methoxy-3-methyl-N-phenylbenzenesulfinamide
CID 21135236
2-(2-methoxy-3-methylphenyl)cyclohepta-2,4,6-trien-1-one
CID 118331707
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
1,5-dimethylnaphthalene
CID 162159355
N-(2-methoxy-3-methylphenyl)-2-pyrazin-2-ylethanimine
CID 90458685
2-(2-methoxy-3-methylphenyl)-1,3-dioxolane
CID 122548411
4-methoxy-2-nitro-1-(sulfonylamino)benzene
CID 174785505
2-methoxy-1-methyl-3-[(2S)-3-methylbutan-2-yl]benzene
CID 130223867

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-3-(sulfonylamino)benzene?
The IUPAC name of 2-methoxy-1-methyl-3-(sulfonylamino)benzene (CID 175910756) is 2-methoxy-1-methyl-3-(sulfonylamino)benzene.
What is the SMILES notation for 2-methoxy-1-methyl-3-(sulfonylamino)benzene?
The canonical SMILES for 2-methoxy-1-methyl-3-(sulfonylamino)benzene is COc1c(C)cccc1N=S(=O)=O.
What is the InChIKey of 2-methoxy-1-methyl-3-(sulfonylamino)benzene?
The InChIKey is IGZGYNFMWLZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-6-4-3-5-7(8(6)12-2)9-13(10)11/h3-5H,1-2H3.
What are the key properties of 2-methoxy-1-methyl-3-(sulfonylamino)benzene?
2-methoxy-1-methyl-3-(sulfonylamino)benzene has a molecular weight of 199.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-3-(sulfonylamino)benzene is sourced from PubChem (CID 175910756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).