1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea

C19H17N3O4S — CID 12505124

IUPAC1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea
SMILESO=C(NNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C19H17N3O4S/c23-19(20-15-7-3-1-4-8-15)21-22-27(24,25)18-13-11-17(12-14-18)26-16-9-5-2-6-10-16/h1-14,22H,(H2,20,21,23)
InChIKeyBUOVKWQRPWCCEW-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.49
Rot. Bonds6

About 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea

1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea (PubChem CID 12505124) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea
PubChem CID12505124
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea
SMILESO=C(NNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C19H17N3O4S/c23-19(20-15-7-3-1-4-8-15)21-22-27(24,25)18-13-11-17(12-14-18)26-16-9-5-2-6-10-16/h1-14,22H,(H2,20,21,23)
InChIKeyBUOVKWQRPWCCEW-UHFFFAOYSA-N
XLogP3.49
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(benzenesulfonamido)-3-(4-phenoxyphenyl)thiourea
CID 134097455
1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea
CID 17429773
3-[(4-phenoxyphenyl)sulfonylamino]benzoic acid
CID 44669190
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
phenoxybenzene;N-phenylacetamide
CID 174350344
2-methyl-N'-[4-[4-[(2-methylprop-2-enoylamino)sulfamoyl]phenoxy]phenyl]sulfonylprop-2-enehydrazide
CID 102109710
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
4-phenoxy-N-(4-phenylphenyl)sulfonylbenzamide
CID 53473228
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea?
The IUPAC name of 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea (CID 12505124) is 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea.
What is the SMILES notation for 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea?
The canonical SMILES for 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea is O=C(NNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea?
The InChIKey is BUOVKWQRPWCCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-19(20-15-7-3-1-4-8-15)21-22-27(24,25)18-13-11-17(12-14-18)26-16-9-5-2-6-10-16/h1-14,22H,(H2,20,21,23).
What are the key properties of 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea?
1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea has a molecular weight of 383.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenoxyphenyl)sulfonylamino]-3-phenylurea is sourced from PubChem (CID 12505124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).