1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea

C15H17N3O4S — CID 122150681

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C15H17N3O4S/c1-18(2)23(21,22)14-5-3-4-12(10-14)17-15(20)16-11-6-8-13(19)9-7-11/h3-10,19H,1-2H3,(H2,16,17,20)
InChIKeySFYOYKWVBGIJLW-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.29
Rot. Bonds4

About 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea

1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea (PubChem CID 122150681) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
PubChem CID122150681
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C15H17N3O4S/c1-18(2)23(21,22)14-5-3-4-12(10-14)17-15(20)16-11-6-8-13(19)9-7-11/h3-10,19H,1-2H3,(H2,16,17,20)
InChIKeySFYOYKWVBGIJLW-UHFFFAOYSA-N
XLogP2.29
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
CID 3626438
1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea
CID 58665205
1-(4-tert-butylphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800335
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8729171
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,5,7-trimethyl-1-adamantyl)urea
CID 3599813
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253307
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46800835
trans-(1S,2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 9093768
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 52592042
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-(dimethylsulfamoyl)phenyl]urea
CID 52502640

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea (CID 122150681) is 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea is CN(C)S(=O)(=O)c1cccc(NC(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea?
The InChIKey is SFYOYKWVBGIJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-18(2)23(21,22)14-5-3-4-12(10-14)17-15(20)16-11-6-8-13(19)9-7-11/h3-10,19H,1-2H3,(H2,16,17,20).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea?
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea has a molecular weight of 335.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea is sourced from PubChem (CID 122150681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).