1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea

C15H16N4O6S — CID 2207110

IUPAC1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
SMILESCCOc1ccccc1NC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N4O6S/c1-2-25-14-6-4-3-5-13(14)16-15(20)17-18-26(23,24)12-9-7-11(8-10-12)19(21)22/h3-10,18H,2H2,1H3,(H2,16,17,20)
InChIKeyKRMANMAIUOMITF-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.01
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea

1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea (PubChem CID 2207110) has the molecular formula C15H16N4O6S and a molecular weight of 380.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
PubChem CID2207110
Molecular FormulaC15H16N4O6S
Molecular Weight380.38 g/mol
Exact Mass380.08
IUPAC Name1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea
SMILESCCOc1ccccc1NC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H16N4O6S/c1-2-25-14-6-4-3-5-13(14)16-15(20)17-18-26(23,24)12-9-7-11(8-10-12)19(21)22/h3-10,18H,2H2,1H3,(H2,16,17,20)
InChIKeyKRMANMAIUOMITF-UHFFFAOYSA-N
XLogP2.01
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea (CID 2207110) is 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea is CCOc1ccccc1NC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea?
The InChIKey is KRMANMAIUOMITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O6S/c1-2-25-14-6-4-3-5-13(14)16-15(20)17-18-26(23,24)12-9-7-11(8-10-12)19(21)22/h3-10,18H,2H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea?
1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea has a molecular weight of 380.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(4-nitrophenyl)sulfonylamino]urea is sourced from PubChem (CID 2207110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).