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

C15H17N3O3S2 — CID 3626438

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(O)cc2)c1
InChIInChI=1S/C15H17N3O3S2/c1-18(2)23(20,21)14-5-3-4-12(10-14)17-15(22)16-11-6-8-13(19)9-7-11/h3-10,19H,1-2H3,(H2,16,17,22)
InChIKeyMOHSEBPDTIEGDC-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.45
Rot. Bonds4

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

1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea (PubChem CID 3626438) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
PubChem CID3626438
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(O)cc2)c1
InChIInChI=1S/C15H17N3O3S2/c1-18(2)23(20,21)14-5-3-4-12(10-14)17-15(22)16-11-6-8-13(19)9-7-11/h3-10,19H,1-2H3,(H2,16,17,22)
InChIKeyMOHSEBPDTIEGDC-UHFFFAOYSA-N
XLogP2.45
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
1-(4-tert-butylphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800335
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
1-(3-cyanophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8614863
1-(3-chloro-4-methoxyphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800265
1-[3-(dimethylsulfamoyl)phenyl]-3-(2-methylpropyl)thiourea
CID 8626970
1-[3-(dimethylsulfamoyl)phenyl]-3-(1H-indazol-6-yl)thiourea
CID 4235162
1-[(2R)-butan-2-yl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8619665
4-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(4-ethoxyphenyl)benzamide
CID 42993002
1-[3-(dimethylamino)propyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 4041337
1-[3-(dimethylsulfamoyl)phenyl]-3-(pentylcarbamothioylamino)thiourea
CID 8655058
1-(4-bromo-2-fluorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800340

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea (CID 3626438) is 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea is CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc(O)cc2)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea?
The InChIKey is MOHSEBPDTIEGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-18(2)23(20,21)14-5-3-4-12(10-14)17-15(22)16-11-6-8-13(19)9-7-11/h3-10,19H,1-2H3,(H2,16,17,22).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea?
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)thiourea has a molecular weight of 351.45 g/mol, XLogP of 2.45, 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)thiourea is sourced from PubChem (CID 3626438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).