1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea

C15H17N3O5S — CID 108867832

IUPAC1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O5S/c1-22-12-4-3-5-13(23-2)14(12)18-15(19)17-10-6-8-11(9-7-10)24(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyKZVHBEYNAGDTDY-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.00
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea

1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 108867832) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID108867832
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17N3O5S/c1-22-12-4-3-5-13(23-2)14(12)18-15(19)17-10-6-8-11(9-7-10)24(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyKZVHBEYNAGDTDY-UHFFFAOYSA-N
XLogP2.00
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-(4-sulfamoylphenyl)benzamide
CID 954656
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 46445537
3-(2-methoxyphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 24640601
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
1-[(2,3-dimethylphenoxy)methyl]-3-(4-sulfamoylphenyl)urea
CID 108878284
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
1-[2-(aminomethyl)-6-methoxyphenyl]-3-phenylurea
CID 107467314
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea (CID 108867832) is 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea is COc1cccc(OC)c1NC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is KZVHBEYNAGDTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-22-12-4-3-5-13(23-2)14(12)18-15(19)17-10-6-8-11(9-7-10)24(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea?
1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 351.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 108867832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).