1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene

C12H20N2O4S — CID 110629589

IUPAC1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
SMILESCCNS(=O)(=O)N(C)CC(O)c1cccc(OC)c1
InChIInChI=1S/C12H20N2O4S/c1-4-13-19(16,17)14(2)9-12(15)10-6-5-7-11(8-10)18-3/h5-8,12-13,15H,4,9H2,1-3H3
InChIKeySSQXVSFLCXZMID-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.51
Rot. Bonds7

About 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene

1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene (PubChem CID 110629589) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
PubChem CID110629589
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
SMILESCCNS(=O)(=O)N(C)CC(O)c1cccc(OC)c1
InChIInChI=1S/C12H20N2O4S/c1-4-13-19(16,17)14(2)9-12(15)10-6-5-7-11(8-10)18-3/h5-8,12-13,15H,4,9H2,1-3H3
InChIKeySSQXVSFLCXZMID-UHFFFAOYSA-N
XLogP0.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide
CID 110291014
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]-3-methoxypropan-2-ol
CID 79006411
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene
CID 55681602
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 114231232
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene?
The IUPAC name of 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene (CID 110629589) is 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene.
What is the SMILES notation for 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene?
The canonical SMILES for 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene is CCNS(=O)(=O)N(C)CC(O)c1cccc(OC)c1.
What is the InChIKey of 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene?
The InChIKey is SSQXVSFLCXZMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-13-19(16,17)14(2)9-12(15)10-6-5-7-11(8-10)18-3/h5-8,12-13,15H,4,9H2,1-3H3.
What are the key properties of 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene?
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene has a molecular weight of 288.37 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene is sourced from PubChem (CID 110629589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).