1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium

C15H17NO4PS+ — CID 21427376

IUPAC1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium
SMILESCc1ccc(S(=O)(=O)NC(C)O[P+](=O)c2ccccc2)cc1
InChIInChI=1S/C15H17NO4PS/c1-12-8-10-15(11-9-12)22(18,19)16-13(2)20-21(17)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/q+1
InChIKeyNYWIKJWKKXETNI-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.70
Rot. Bonds6

About 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium

1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium (PubChem CID 21427376) has the molecular formula C15H17NO4PS+ and a molecular weight of 338.35 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium
PubChem CID21427376
Molecular FormulaC15H17NO4PS+
Molecular Weight338.35 g/mol
Exact Mass338.06
IUPAC Name1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium
SMILESCc1ccc(S(=O)(=O)NC(C)O[P+](=O)c2ccccc2)cc1
InChIInChI=1S/C15H17NO4PS/c1-12-8-10-15(11-9-12)22(18,19)16-13(2)20-21(17)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/q+1
InChIKeyNYWIKJWKKXETNI-UHFFFAOYSA-N
XLogP2.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
N-[(1S)-2,2-dimethoxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 101203373
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
(2R,3S)-2-methyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 10991221
4-methyl-N-[(1S,2S)-2-nitro-1-phenylpropyl]benzenesulfonamide
CID 71425019
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium?
The IUPAC name of 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium (CID 21427376) is 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium is Cc1ccc(S(=O)(=O)NC(C)O[P+](=O)c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium?
The InChIKey is NYWIKJWKKXETNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4PS/c1-12-8-10-15(11-9-12)22(18,19)16-13(2)20-21(17)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3/q+1.
What are the key properties of 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium?
1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium has a molecular weight of 338.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylamino]ethoxy-oxo-phenylphosphanium is sourced from PubChem (CID 21427376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).