N-dichlorophosphoryl-4-methylbenzenesulfonamide

C7H8Cl2NO3PS — CID 4737336

IUPACN-dichlorophosphoryl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NP(=O)(Cl)Cl)cc1
InChIInChI=1S/C7H8Cl2NO3PS/c1-6-2-4-7(5-3-6)15(12,13)10-14(8,9)11/h2-5H,1H3,(H,10,11)
InChIKeyIEIHBEVVBMVFNG-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.86
Rot. Bonds3

About N-dichlorophosphoryl-4-methylbenzenesulfonamide

N-dichlorophosphoryl-4-methylbenzenesulfonamide (PubChem CID 4737336) has the molecular formula C7H8Cl2NO3PS and a molecular weight of 288.09 g/mol. Its IUPAC name is N-dichlorophosphoryl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-dichlorophosphoryl-4-methylbenzenesulfonamide
PubChem CID4737336
Molecular FormulaC7H8Cl2NO3PS
Molecular Weight288.09 g/mol
Exact Mass286.93
IUPAC NameN-dichlorophosphoryl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NP(=O)(Cl)Cl)cc1
InChIInChI=1S/C7H8Cl2NO3PS/c1-6-2-4-7(5-3-6)15(12,13)10-14(8,9)11/h2-5H,1H3,(H,10,11)
InChIKeyIEIHBEVVBMVFNG-UHFFFAOYSA-N
XLogP2.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.86
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

N-bis(aminosulfanyl)phosphoryl-4-methylbenzenesulfonamide
CID 21242707
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methylbenzenesulfonohydrazide
CID 15303
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 3514861
4-methyl-N-[(2S)-1-oxopropan-2-yl]benzenesulfonamide
CID 18606138
N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide
CID 91736357
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
1-methyl-4-(sulfinatosulfamoyl)benzene
CID 57311516
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137

Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphoryl-4-methylbenzenesulfonamide?
The IUPAC name of N-dichlorophosphoryl-4-methylbenzenesulfonamide (CID 4737336) is N-dichlorophosphoryl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-dichlorophosphoryl-4-methylbenzenesulfonamide?
The canonical SMILES for N-dichlorophosphoryl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NP(=O)(Cl)Cl)cc1.
What is the InChIKey of N-dichlorophosphoryl-4-methylbenzenesulfonamide?
The InChIKey is IEIHBEVVBMVFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2NO3PS/c1-6-2-4-7(5-3-6)15(12,13)10-14(8,9)11/h2-5H,1H3,(H,10,11).
What are the key properties of N-dichlorophosphoryl-4-methylbenzenesulfonamide?
N-dichlorophosphoryl-4-methylbenzenesulfonamide has a molecular weight of 288.09 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphoryl-4-methylbenzenesulfonamide is sourced from PubChem (CID 4737336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).