4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide

C12H20N2O5S2 — CID 171675227

IUPAC4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCS(N)(=O)=O)c(C)c1C
InChIInChI=1S/C12H20N2O5S2/c1-8-7-11(19-4)9(2)10(3)12(8)21(17,18)14-5-6-20(13,15)16/h7,14H,5-6H2,1-4H3,(H2,13,15,16)
InChIKeyGYANGNGBXDPSEB-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.19
Rot. Bonds6

About 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide

4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide (PubChem CID 171675227) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
PubChem CID171675227
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCS(N)(=O)=O)c(C)c1C
InChIInChI=1S/C12H20N2O5S2/c1-8-7-11(19-4)9(2)10(3)12(8)21(17,18)14-5-6-20(13,15)16/h7,14H,5-6H2,1-4H3,(H2,13,15,16)
InChIKeyGYANGNGBXDPSEB-UHFFFAOYSA-N
XLogP0.19
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3781710
4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 5163002
N-[(3,5-dimethoxyphenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 5014375
4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3527487
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3829648
diethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanedioate
CID 3860519
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide;hydrochloride
CID 21092277
N-(3-aminopropyl)-2-methoxy-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120706699
4-hydrazinyl-2,6-dimethyl-N-(3-sulfamoylpropyl)benzenesulfonamide
CID 107327963

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide (CID 171675227) is 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCS(N)(=O)=O)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide?
The InChIKey is GYANGNGBXDPSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-8-7-11(19-4)9(2)10(3)12(8)21(17,18)14-5-6-20(13,15)16/h7,14H,5-6H2,1-4H3,(H2,13,15,16).
What are the key properties of 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide?
4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide is sourced from PubChem (CID 171675227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).