1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea

C16H19N3O3S — CID 27871218

IUPAC1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCC(C)c1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H19N3O3S/c1-11(2)12-4-3-5-14(10-12)19-16(20)18-13-6-8-15(9-7-13)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyHEODBMCOCFKBOO-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.10
Rot. Bonds4

About 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea

1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 27871218) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID27871218
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCC(C)c1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H19N3O3S/c1-11(2)12-4-3-5-14(10-12)19-16(20)18-13-6-8-15(9-7-13)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
InChIKeyHEODBMCOCFKBOO-UHFFFAOYSA-N
XLogP3.10
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea (CID 27871218) is 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea is CC(C)c1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is HEODBMCOCFKBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11(2)12-4-3-5-14(10-12)19-16(20)18-13-6-8-15(9-7-13)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea?
1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 333.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27871218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).