N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide

C22H24NO2PS — CID 54331699

IUPACN-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(P)c(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C22H24NO2PS/c1-3-17-9-14-22(26)21(15-17)19-10-12-20(13-11-19)27(24,25)23(2)16-18-7-5-4-6-8-18/h4-15H,3,16,26H2,1-2H3
InChIKeyDINQOMIUPLIVFD-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.24
Rot. Bonds6

About N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide

N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide (PubChem CID 54331699) has the molecular formula C22H24NO2PS and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide
PubChem CID54331699
Molecular FormulaC22H24NO2PS
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide
SMILESCCc1ccc(P)c(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1
InChIInChI=1S/C22H24NO2PS/c1-3-17-9-14-22(26)21(15-17)19-10-12-20(13-11-19)27(24,25)23(2)16-18-7-5-4-6-8-18/h4-15H,3,16,26H2,1-2H3
InChIKeyDINQOMIUPLIVFD-UHFFFAOYSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
3-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzenesulfonamide
CID 2551092
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 135785375
N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958761
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
CID 175262057
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 4068448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide (CID 54331699) is N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide is CCc1ccc(P)c(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide?
The InChIKey is DINQOMIUPLIVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO2PS/c1-3-17-9-14-22(26)21(15-17)19-10-12-20(13-11-19)27(24,25)23(2)16-18-7-5-4-6-8-18/h4-15H,3,16,26H2,1-2H3.
What are the key properties of N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide?
N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide has a molecular weight of 397.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54331699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).