1-phenyl-1-(phenylmethoxysulfamoyl)urea

C14H15N3O4S — CID 141334106

IUPAC1-phenyl-1-(phenylmethoxysulfamoyl)urea
SMILESNC(=O)N(c1ccccc1)S(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C14H15N3O4S/c15-14(18)17(13-9-5-2-6-10-13)22(19,20)16-21-11-12-7-3-1-4-8-12/h1-10,16H,11H2,(H2,15,18)
InChIKeyNGVGHYRXBUSBIL-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.54
Rot. Bonds6

About 1-phenyl-1-(phenylmethoxysulfamoyl)urea

1-phenyl-1-(phenylmethoxysulfamoyl)urea (PubChem CID 141334106) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-phenyl-1-(phenylmethoxysulfamoyl)urea.

Molecular Properties

Compound Name1-phenyl-1-(phenylmethoxysulfamoyl)urea
PubChem CID141334106
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name1-phenyl-1-(phenylmethoxysulfamoyl)urea
SMILESNC(=O)N(c1ccccc1)S(=O)(=O)NOCc1ccccc1
InChIInChI=1S/C14H15N3O4S/c15-14(18)17(13-9-5-2-6-10-13)22(19,20)16-21-11-12-7-3-1-4-8-12/h1-10,16H,11H2,(H2,15,18)
InChIKeyNGVGHYRXBUSBIL-UHFFFAOYSA-N
XLogP1.54
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-(phenylmethoxysulfamoyl)urea?
The IUPAC name of 1-phenyl-1-(phenylmethoxysulfamoyl)urea (CID 141334106) is 1-phenyl-1-(phenylmethoxysulfamoyl)urea.
What is the SMILES notation for 1-phenyl-1-(phenylmethoxysulfamoyl)urea?
The canonical SMILES for 1-phenyl-1-(phenylmethoxysulfamoyl)urea is NC(=O)N(c1ccccc1)S(=O)(=O)NOCc1ccccc1.
What is the InChIKey of 1-phenyl-1-(phenylmethoxysulfamoyl)urea?
The InChIKey is NGVGHYRXBUSBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c15-14(18)17(13-9-5-2-6-10-13)22(19,20)16-21-11-12-7-3-1-4-8-12/h1-10,16H,11H2,(H2,15,18).
What are the key properties of 1-phenyl-1-(phenylmethoxysulfamoyl)urea?
1-phenyl-1-(phenylmethoxysulfamoyl)urea has a molecular weight of 321.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-(phenylmethoxysulfamoyl)urea is sourced from PubChem (CID 141334106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).