1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea

C11H17N3O4S — CID 61342170

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
SMILESCC(O)c1ccc(NC(=O)NCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O4S/c1-8(15)9-2-4-10(5-3-9)14-11(16)13-6-7-19(12,17)18/h2-5,8,15H,6-7H2,1H3,(H2,12,17,18)(H2,13,14,16)
InChIKeySQQLEZDMLBDCNW-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.15
Rot. Bonds5

About 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea

1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea (PubChem CID 61342170) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
PubChem CID61342170
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
SMILESCC(O)c1ccc(NC(=O)NCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H17N3O4S/c1-8(15)9-2-4-10(5-3-9)14-11(16)13-6-7-19(12,17)18/h2-5,8,15H,6-7H2,1H3,(H2,12,17,18)(H2,13,14,16)
InChIKeySQQLEZDMLBDCNW-UHFFFAOYSA-N
XLogP0.15
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 62641101
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60799942
1-[4-(1-aminoethyl)phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340704
1-(4-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61131417
1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea
CID 82946717
1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 61347612
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340342
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202066
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
CID 61461408
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea (CID 61342170) is 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea is CC(O)c1ccc(NC(=O)NCCS(N)(=O)=O)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea?
The InChIKey is SQQLEZDMLBDCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-8(15)9-2-4-10(5-3-9)14-11(16)13-6-7-19(12,17)18/h2-5,8,15H,6-7H2,1H3,(H2,12,17,18)(H2,13,14,16).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea has a molecular weight of 287.34 g/mol, XLogP of 0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea is sourced from PubChem (CID 61342170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).