5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene

C12H20N2O5S — CID 35313454

IUPAC5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(CNS(=O)(=O)N(C)C)cc(OC)c1OC
InChIInChI=1S/C12H20N2O5S/c1-14(2)20(15,16)13-8-9-6-10(17-3)12(19-5)11(7-9)18-4/h6-7,13H,8H2,1-5H3
InChIKeyOTOHTLLZWZKGES-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.61
Rot. Bonds7

About 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene

5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene (PubChem CID 35313454) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
PubChem CID35313454
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(CNS(=O)(=O)N(C)C)cc(OC)c1OC
InChIInChI=1S/C12H20N2O5S/c1-14(2)20(15,16)13-8-9-6-10(17-3)12(19-5)11(7-9)18-4/h6-7,13H,8H2,1-5H3
InChIKeyOTOHTLLZWZKGES-UHFFFAOYSA-N
XLogP0.61
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-1,2,3-trimethoxybenzene
CID 112506990
4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190964
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
CID 35606173
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
N-methyl-2-[(3,4,5-trimethoxyphenyl)methylamino]ethanesulfonamide
CID 102675085
3-[(3,4,5-trimethoxyphenyl)methylamino]propane-1-sulfonic acid
CID 11244091
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869
N-(2-methoxyethoxy)-1-(3,4,5-trimethoxyphenyl)methanamine
CID 82714412
2-methyl-N-[5-[(3,4,5-trimethoxyphenyl)methylamino]pentyl]propane-2-sulfonamide
CID 70938746
4-(2,5-dioxopyrrolidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 100540260
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene (CID 35313454) is 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene is COc1cc(CNS(=O)(=O)N(C)C)cc(OC)c1OC.
What is the InChIKey of 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene?
The InChIKey is OTOHTLLZWZKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-14(2)20(15,16)13-8-9-6-10(17-3)12(19-5)11(7-9)18-4/h6-7,13H,8H2,1-5H3.
What are the key properties of 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene?
5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene has a molecular weight of 304.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylsulfamoylamino)methyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 35313454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).