1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene

C10H16N2O3S — CID 112686071

IUPAC1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
SMILESCCN(Cc1ccc(OC)cc1)S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-3-12(16(11,13)14)8-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,11,13,14)
InChIKeyJNJYZACHLUJELS-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.72
Rot. Bonds5

About 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene

1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene (PubChem CID 112686071) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
PubChem CID112686071
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
SMILESCCN(Cc1ccc(OC)cc1)S(N)(=O)=O
InChIInChI=1S/C10H16N2O3S/c1-3-12(16(11,13)14)8-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,11,13,14)
InChIKeyJNJYZACHLUJELS-UHFFFAOYSA-N
XLogP0.72
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 63664523
1-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 83084527
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
1-amino-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
CID 70852168
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
N,N-bis[(4-methoxyphenyl)methyl]-2-pyrrolidin-1-ylethanesulfonamide;2-pyrrolidin-1-ylethanesulfonamide
CID 158356364
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-nitrobenzenesulfonamide
CID 70293509
(2R)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide;(2S)-N,N-bis[(4-methoxyphenyl)methyl]-1-oxobutane-2-sulfonamide
CID 158198081
methyl (2R)-2-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-3-methylbutanoate
CID 145359334
3,3,3-trifluoro-N,N-bis[(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 130367394
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N,N-bis[(4-methoxyphenyl)methyl]-1-oxo-1-pyrrolidin-1-ylpropane-2-sulfonamide
CID 122701248

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene?
The IUPAC name of 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene (CID 112686071) is 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene?
The canonical SMILES for 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene is CCN(Cc1ccc(OC)cc1)S(N)(=O)=O.
What is the InChIKey of 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene?
The InChIKey is JNJYZACHLUJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-12(16(11,13)14)8-9-4-6-10(15-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,11,13,14).
What are the key properties of 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene?
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene has a molecular weight of 244.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene is sourced from PubChem (CID 112686071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).