1-methoxy-3-[methyl(sulfamoyl)amino]benzene

C8H12N2O3S — CID 112573732

IUPAC1-methoxy-3-[methyl(sulfamoyl)amino]benzene
SMILESCOc1cccc(N(C)S(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O3S/c1-10(14(9,11)12)7-4-3-5-8(6-7)13-2/h3-6H,1-2H3,(H2,9,11,12)
InChIKeyTXAVIDXXCJNIBY-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.33
Rot. Bonds3

About 1-methoxy-3-[methyl(sulfamoyl)amino]benzene

1-methoxy-3-[methyl(sulfamoyl)amino]benzene (PubChem CID 112573732) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-methoxy-3-[methyl(sulfamoyl)amino]benzene.

Molecular Properties

Compound Name1-methoxy-3-[methyl(sulfamoyl)amino]benzene
PubChem CID112573732
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name1-methoxy-3-[methyl(sulfamoyl)amino]benzene
SMILESCOc1cccc(N(C)S(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O3S/c1-10(14(9,11)12)7-4-3-5-8(6-7)13-2/h3-6H,1-2H3,(H2,9,11,12)
InChIKeyTXAVIDXXCJNIBY-UHFFFAOYSA-N
XLogP0.33
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenyl)-N-(3-methoxyphenyl)-N-methylmethanesulfonamide
CID 62021691
1-(aminomethyl)-3-[methyl(sulfamoyl)amino]benzene
CID 114958620
2-(ethylamino)-N-(3-methoxyphenyl)-N-methylethanesulfonamide
CID 62002110
3-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyridine-2-sulfonamide
CID 103301356
2-cyano-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004336
3-chloro-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
CID 100511071
3-methoxy-N,N-disilylaniline
CID 149149494
N'-(dimethylsulfamoyl)-N'-(3-methoxyphenyl)ethane-1,2-diamine
CID 28769805
6-amino-5-chloro-N-(3-methoxyphenyl)-N-methylpyridine-3-sulfonamide
CID 64601866
3-methoxybenzenesulfonamide
CID 14763060
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl(sulfamoyl)amino]benzene?
The IUPAC name of 1-methoxy-3-[methyl(sulfamoyl)amino]benzene (CID 112573732) is 1-methoxy-3-[methyl(sulfamoyl)amino]benzene.
What is the SMILES notation for 1-methoxy-3-[methyl(sulfamoyl)amino]benzene?
The canonical SMILES for 1-methoxy-3-[methyl(sulfamoyl)amino]benzene is COc1cccc(N(C)S(N)(=O)=O)c1.
What is the InChIKey of 1-methoxy-3-[methyl(sulfamoyl)amino]benzene?
The InChIKey is TXAVIDXXCJNIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-10(14(9,11)12)7-4-3-5-8(6-7)13-2/h3-6H,1-2H3,(H2,9,11,12).
What are the key properties of 1-methoxy-3-[methyl(sulfamoyl)amino]benzene?
1-methoxy-3-[methyl(sulfamoyl)amino]benzene has a molecular weight of 216.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl(sulfamoyl)amino]benzene is sourced from PubChem (CID 112573732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).