1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea

C14H14ClN3O3S — CID 10042838

IUPAC1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea
SMILESNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(CO)cc1
InChIInChI=1S/C14H14ClN3O3S/c15-11-3-5-12(6-4-11)17-14(20)18-22(16,21)13-7-1-10(9-19)2-8-13/h1-8,19H,9H2,(H3,16,17,18,20,21)
InChIKeyISGGPBNAIRNXGH-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.77
Rot. Bonds3

About 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea

1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea (PubChem CID 10042838) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea
PubChem CID10042838
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea
SMILESNS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(CO)cc1
InChIInChI=1S/C14H14ClN3O3S/c15-11-3-5-12(6-4-11)17-14(20)18-22(16,21)13-7-1-10(9-19)2-8-13/h1-8,19H,9H2,(H3,16,17,18,20,21)
InChIKeyISGGPBNAIRNXGH-UHFFFAOYSA-N
XLogP2.77
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea (CID 10042838) is 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea is NS(=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(CO)cc1.
What is the InChIKey of 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea?
The InChIKey is ISGGPBNAIRNXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-11-3-5-12(6-4-11)17-14(20)18-22(16,21)13-7-1-10(9-19)2-8-13/h1-8,19H,9H2,(H3,16,17,18,20,21).
What are the key properties of 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea?
1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea has a molecular weight of 339.80 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[4-(hydroxymethyl)phenyl]-oxo-λ6-sulfanylidene]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 10042838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).