1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene

C12H20N2O3S — CID 54947518

IUPAC1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)14(3)18(16,17)13-9-8-11-4-6-12(15)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyMUKREFQBANGUDL-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.11
Rot. Bonds6

About 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene

1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene (PubChem CID 54947518) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene.

Molecular Properties

Compound Name1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
PubChem CID54947518
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene
SMILESCC(C)N(C)S(=O)(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C12H20N2O3S/c1-10(2)14(3)18(16,17)13-9-8-11-4-6-12(15)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyMUKREFQBANGUDL-UHFFFAOYSA-N
XLogP1.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
1-[2-(diethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 54904084
1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
CID 110790785
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
1-[(dimethylsulfamoylamino)methyl]-4-hydroxybenzene
CID 115753679
N-[(4-hydroxyphenyl)methyl]propane-2-sulfonamide
CID 115753665
methyl N-[2-(4-hydroxyphenyl)ethylsulfamoyl]carbamate
CID 114463964
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide
CID 61454031
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
1-(2-bromoethyl)-4-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 113271502

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The IUPAC name of 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene (CID 54947518) is 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene.
What is the SMILES notation for 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The canonical SMILES for 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene is CC(C)N(C)S(=O)(=O)NCCc1ccc(O)cc1.
What is the InChIKey of 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
The InChIKey is MUKREFQBANGUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(2)14(3)18(16,17)13-9-8-11-4-6-12(15)7-5-11/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene?
1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene has a molecular weight of 272.37 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]benzene is sourced from PubChem (CID 54947518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).