1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea

C16H19N3O6S — CID 24818784

IUPAC1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NNS(=O)(=O)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C16H19N3O6S/c1-23-12-6-4-5-11(9-12)17-16(20)18-19-26(21,22)15-8-7-13(24-2)10-14(15)25-3/h4-10,19H,1-3H3,(H2,17,18,20)
InChIKeyBLSONMKIUPGRNR-UHFFFAOYSA-N
MW381.41 g/mol
LogP1.73
Rot. Bonds7

About 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea

1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea (PubChem CID 24818784) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea
PubChem CID24818784
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Name1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NNS(=O)(=O)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C16H19N3O6S/c1-23-12-6-4-5-11(9-12)17-16(20)18-19-26(21,22)15-8-7-13(24-2)10-14(15)25-3/h4-10,19H,1-3H3,(H2,17,18,20)
InChIKeyBLSONMKIUPGRNR-UHFFFAOYSA-N
XLogP1.73
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea (CID 24818784) is 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NNS(=O)(=O)c2ccc(OC)cc2OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea?
The InChIKey is BLSONMKIUPGRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-23-12-6-4-5-11(9-12)17-16(20)18-19-26(21,22)15-8-7-13(24-2)10-14(15)25-3/h4-10,19H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea?
1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea has a molecular weight of 381.41 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)sulfonylamino]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 24818784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).