CID 70122387

C17H20NO5PS — CID 70122387

IUPAC—
SMILESCCOc1cccc(S(=O)(=O)NC(C)(C)P(=O)=O)c1-c1ccccc1
InChIInChI=1S/C17H20NO5PS/c1-4-23-14-11-8-12-15(16(14)13-9-6-5-7-10-13)25(21,22)18-17(2,3)24(19)20/h5-12,18H,4H2,1-3H3
InChIKeyQLUGUZMVZHGCGE-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.94
Rot. Bonds7

About CID 70122387

CID 70122387 (PubChem CID 70122387) has the molecular formula C17H20NO5PS and a molecular weight of 381.39 g/mol.

Molecular Properties

Compound NameCID 70122387
PubChem CID70122387
Molecular FormulaC17H20NO5PS
Molecular Weight381.39 g/mol
Exact Mass381.08
IUPAC Name—
SMILESCCOc1cccc(S(=O)(=O)NC(C)(C)P(=O)=O)c1-c1ccccc1
InChIInChI=1S/C17H20NO5PS/c1-4-23-14-11-8-12-15(16(14)13-9-6-5-7-10-13)25(21,22)18-17(2,3)24(19)20/h5-12,18H,4H2,1-3H3
InChIKeyQLUGUZMVZHGCGE-UHFFFAOYSA-N
XLogP3.94
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 90497565
1-ethoxy-3-hexoxy-2-phenylbenzene
CID 141138385
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
3-amino-N-(2-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 30058477
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
azanium (3-ethyl-2-phenylphenyl) sulfate
CID 158190148
CID 23206755
CID 23206755
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1-ethoxy-2-(4-ethoxyphenyl)sulfonylbenzene
CID 12592714
N-[2-(3-ethoxy-4-pyridinyl)propan-2-yl]benzenesulfonamide
CID 140800940
1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115853596

Frequently Asked Questions

What is the IUPAC name of CID 70122387?
The IUPAC name of CID 70122387 (CID 70122387) is not available.
What is the SMILES notation for CID 70122387?
The canonical SMILES for CID 70122387 is CCOc1cccc(S(=O)(=O)NC(C)(C)P(=O)=O)c1-c1ccccc1.
What is the InChIKey of CID 70122387?
The InChIKey is QLUGUZMVZHGCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO5PS/c1-4-23-14-11-8-12-15(16(14)13-9-6-5-7-10-13)25(21,22)18-17(2,3)24(19)20/h5-12,18H,4H2,1-3H3.
What are the key properties of CID 70122387?
CID 70122387 has a molecular weight of 381.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70122387 is sourced from PubChem (CID 70122387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).