1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea

C13H11ClN2O2S — CID 108886378

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1O)Nc1ccccc1S
InChIInChI=1S/C13H11ClN2O2S/c14-8-5-6-11(17)10(7-8)16-13(18)15-9-3-1-2-4-12(9)19/h1-7,17,19H,(H2,15,16,18)
InChIKeyGNRFXCRFFINANK-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.98
Rot. Bonds2

About 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea

1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea (PubChem CID 108886378) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea
PubChem CID108886378
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1O)Nc1ccccc1S
InChIInChI=1S/C13H11ClN2O2S/c14-8-5-6-11(17)10(7-8)16-13(18)15-9-3-1-2-4-12(9)19/h1-7,17,19H,(H2,15,16,18)
InChIKeyGNRFXCRFFINANK-UHFFFAOYSA-N
XLogP3.98
TPSA61.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea
CID 108892711
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
CID 174580380
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
1-(5-chloro-2-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108894768
4-[(5-chloro-2-hydroxyphenyl)carbamoylamino]benzenesulfinic acid
CID 118560126
1-(5-chloro-2-hydroxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914686
3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]benzenesulfonyl fluoride
CID 118560117
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 935641
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027
2-(aminomethyl)-N-(5-chloro-2-hydroxyphenyl)benzamide
CID 82546409

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea (CID 108886378) is 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea is O=C(Nc1cc(Cl)ccc1O)Nc1ccccc1S.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea?
The InChIKey is GNRFXCRFFINANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-8-5-6-11(17)10(7-8)16-13(18)15-9-3-1-2-4-12(9)19/h1-7,17,19H,(H2,15,16,18).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea?
1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea has a molecular weight of 294.76 g/mol, XLogP of 3.98, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea is sourced from PubChem (CID 108886378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).