1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea

C15H15N3O4S — CID 27870796

IUPAC1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyQDFITLNSSXUDGW-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.18
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea

1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 27870796) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID27870796
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
InChIKeyQDFITLNSSXUDGW-UHFFFAOYSA-N
XLogP2.18
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea (CID 27870796) is 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea is CC(=O)c1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is QDFITLNSSXUDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20).
What are the key properties of 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 333.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27870796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).