triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium

C14H23NO3PS+ — CID 134977826

IUPACtriethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
SMILESCC[P+](CC)(CC)C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22NO3PS/c1-5-19(6-2,7-3)14(16)15-20(17,18)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3/p+1
InChIKeyCPKJBHMRXJZIIP-UHFFFAOYSA-O
MW316.38 g/mol
LogP3.47
Rot. Bonds6

About triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium

triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium (PubChem CID 134977826) has the molecular formula C14H23NO3PS+ and a molecular weight of 316.38 g/mol. Its IUPAC name is triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium.

Molecular Properties

Compound Nametriethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
PubChem CID134977826
Molecular FormulaC14H23NO3PS+
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC Nametriethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium
SMILESCC[P+](CC)(CC)C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22NO3PS/c1-5-19(6-2,7-3)14(16)15-20(17,18)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3/p+1
InChIKeyCPKJBHMRXJZIIP-UHFFFAOYSA-O
XLogP3.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-3-methyl-N-(4-methylphenyl)sulfonylpentanamide
CID 72628786
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
N-(4-aminophenyl)sulfonyl-2-methylbutanamide
CID 166288677
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
(2S)-2-[(4-methylphenyl)sulfonylcarbamoylamino]-N-propylpropanamide
CID 9452306
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
CID 7730689
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155
N-(4-methylphenyl)sulfonyloctanamide
CID 13094109
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239

Frequently Asked Questions

What is the IUPAC name of triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium?
The IUPAC name of triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium (CID 134977826) is triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium.
What is the SMILES notation for triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium?
The canonical SMILES for triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium is CC[P+](CC)(CC)C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium?
The InChIKey is CPKJBHMRXJZIIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22NO3PS/c1-5-19(6-2,7-3)14(16)15-20(17,18)13-10-8-12(4)9-11-13/h8-11H,5-7H2,1-4H3/p+1.
What are the key properties of triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium?
triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium has a molecular weight of 316.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(4-methylphenyl)sulfonylcarbamoyl]phosphanium is sourced from PubChem (CID 134977826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).