1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea

C16H18N2O5S — CID 2172517

IUPAC1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1cc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C16H18N2O5S/c1-11-4-6-15(7-5-11)24(20,21)18-16(19)17-12-8-13(22-2)10-14(9-12)23-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyLXBPXTWQWUEGEN-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.52
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea

1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 2172517) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID2172517
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1cc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C16H18N2O5S/c1-11-4-6-15(7-5-11)24(20,21)18-16(19)17-12-8-13(22-2)10-14(9-12)23-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKeyLXBPXTWQWUEGEN-UHFFFAOYSA-N
XLogP2.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-[[[3-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]carbonyl]benzenesulfonamide
CID 22035425
3-(3-Phenylureido)phenyl 4-methylbenzenesulfonate
CID 145744453
({[4-(Difluoromethoxy)anilino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2815191
N-(3,5-dimethoxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 3900901
1-(2,4-Dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 592766
N-(3,5-dimethoxyphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372093
N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 882050
1-[4-(Ethylsulfamoyl)phenyl]-3-(3-methoxyphenyl)urea
CID 1295659
N-(4-{[(3,5-dimethoxyphenyl)amino]sulfonyl}phenyl)acetamide
CID 2099037
N-(3,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2202680
N-(3,5-dimethoxyphenyl)-2-{4-[(4-isopropylphenyl)sulfonyl]piperazin-1-yl}acetamide
CID 3236043
2-[(2,4-dimethoxyphenyl)sulfonyl]-N-(3-methoxyphenyl)hydrazinecarboxamide
CID 24818784

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea (CID 2172517) is 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea is COc1cc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is LXBPXTWQWUEGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-11-4-6-15(7-5-11)24(20,21)18-16(19)17-12-8-13(22-2)10-14(9-12)23-3/h4-10H,1-3H3,(H2,17,18,19).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 350.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2172517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).