[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene

C12H20N2O3S — CID 103825683

IUPAC[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
SMILESCCN(CC)S(=O)(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-3-14(4-2)18(16,17)13-12(10-15)11-8-6-5-7-9-11/h5-9,12-13,15H,3-4,10H2,1-2H3/t12-/m1/s1
InChIKeySXAQDCKTWYDREZ-GFCCVEGCSA-N
MW272.37 g/mol
LogP0.90
Rot. Bonds7

About [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene

[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene (PubChem CID 103825683) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene.

Molecular Properties

Compound Name[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
PubChem CID103825683
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
SMILESCCN(CC)S(=O)(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-3-14(4-2)18(16,17)13-12(10-15)11-8-6-5-7-9-11/h5-9,12-13,15H,3-4,10H2,1-2H3/t12-/m1/s1
InChIKeySXAQDCKTWYDREZ-GFCCVEGCSA-N
XLogP0.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103837096
2-[[(1S)-2-hydroxy-1-phenylethyl]sulfamoyl]acetic acid
CID 107862097
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-[(1S)-2-hydroxy-1-phenylethyl]cyclopropanesulfonamide
CID 103825699
ethyl N-[[(1R)-2-hydroxy-1-phenylethyl]sulfamoyl]carbamate
CID 107863586
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
[1-(dimethylsulfamoylamino)-4-hydroxybutyl]benzene
CID 75387205
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]propane-1-sulfonamide
CID 107863619
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 55159229
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylpropane-1-sulfonamide
CID 107863620

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene?
The IUPAC name of [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene (CID 103825683) is [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene.
What is the SMILES notation for [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene?
The canonical SMILES for [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene is CCN(CC)S(=O)(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene?
The InChIKey is SXAQDCKTWYDREZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-14(4-2)18(16,17)13-12(10-15)11-8-6-5-7-9-11/h5-9,12-13,15H,3-4,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene?
[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene has a molecular weight of 272.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene is sourced from PubChem (CID 103825683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).