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

C14H15N3O4S — CID 17488597

IUPAC1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H15N3O4S/c1-21-12-4-2-3-11(9-12)17-14(18)16-10-5-7-13(8-6-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
InChIKeyPOERGDGPHIWSKB-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.99
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 17488597) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID17488597
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H15N3O4S/c1-21-12-4-2-3-11(9-12)17-14(18)16-10-5-7-13(8-6-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
InChIKeyPOERGDGPHIWSKB-UHFFFAOYSA-N
XLogP1.99
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea (CID 17488597) is 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea is COc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is POERGDGPHIWSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-21-12-4-2-3-11(9-12)17-14(18)16-10-5-7-13(8-6-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea?
1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 321.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 17488597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).