1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol

C12H20N2O3S — CID 114815631

IUPAC1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
SMILESCC(C)CNS(=O)(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C12H20N2O3S/c1-9(2)8-13-18(16,17)14-12-7-5-4-6-11(12)10(3)15/h4-7,9-10,13-15H,8H2,1-3H3
InChIKeyODGXUODBTUUAHD-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.64
Rot. Bonds6

About 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol

1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol (PubChem CID 114815631) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
PubChem CID114815631
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol
SMILESCC(C)CNS(=O)(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C12H20N2O3S/c1-9(2)8-13-18(16,17)14-12-7-5-4-6-11(12)10(3)15/h4-7,9-10,13-15H,8H2,1-3H3
InChIKeyODGXUODBTUUAHD-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815630
3-[2-(2-methylpropylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114816371
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
3-bromo-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 107640767
ethyl 2-[[2-(1-hydroxyethyl)phenyl]sulfamoyl]acetate
CID 61457351
2-(2-aminoethoxy)-N-(2-methylpropylsulfamoyl)aniline
CID 114813800
1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol
CID 113494512
4-(aminomethyl)-2-methoxy-N-(2-methylpropylsulfamoyl)aniline
CID 114813992
3-amino-4-(2-methylpropylsulfamoylamino)phenol
CID 107697833
4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 60723660
N'-[(2-butan-2-ylphenyl)sulfamoyl]ethane-1,2-diamine
CID 84761031
4-bromo-3-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 107649996

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol?
The IUPAC name of 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol (CID 114815631) is 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol.
What is the SMILES notation for 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol?
The canonical SMILES for 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol is CC(C)CNS(=O)(=O)Nc1ccccc1C(C)O.
What is the InChIKey of 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol?
The InChIKey is ODGXUODBTUUAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)8-13-18(16,17)14-12-7-5-4-6-11(12)10(3)15/h4-7,9-10,13-15H,8H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol?
1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol has a molecular weight of 272.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropylsulfamoylamino)phenyl]ethanol is sourced from PubChem (CID 114815631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).