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

C19H17N3O4S — CID 27868059

IUPAC1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyCRQQPSLXCGIHPH-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.77
Rot. Bonds5

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

1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 27868059) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID27868059
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23)
InChIKeyCRQQPSLXCGIHPH-UHFFFAOYSA-N
XLogP3.77
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-Phenoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 60155031
[4-[(4-Methoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 60155030
1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780370
4-(3-(4-Butoxyphenyl)ureido)benzenesulfonamide
CID 50942416
[4-[(4-Phenylmethoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70692554
[4-[(3-Phenoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70694602
[4-[(2-Phenoxyphenyl)carbamoylamino]phenyl] sulfamate
CID 70696642
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 2957824
1-Phenyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]sulfonylurea
CID 60145776
3-(2-Methoxyphenyl)-1-(4-sulfamoylphenyl)urea
CID 307522
N-(4-methoxyphenyl)-4-({[(3-methylbutanoyl)amino]carbothioyl}amino)benzenesulfonamide
CID 1792017
N-(4-phenoxyphenyl)benzenesulfonamide
CID 2348480

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea (CID 27868059) is 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is CRQQPSLXCGIHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c20-27(24,25)18-12-8-15(9-13-18)22-19(23)21-14-6-10-17(11-7-14)26-16-4-2-1-3-5-16/h1-13H,(H2,20,24,25)(H2,21,22,23).
What are the key properties of 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 383.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27868059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).