N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide

C22H21NO2S — CID 3259939

IUPACN-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-18-12-14-22(15-13-18)26(24,25)23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyREFADXIHPKXIMM-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.61
Rot. Bonds6

About N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide

N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 3259939) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID3259939
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-18-12-14-22(15-13-18)26(24,25)23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3
InChIKeyREFADXIHPKXIMM-UHFFFAOYSA-N
XLogP4.61
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide (CID 3259939) is N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is REFADXIHPKXIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-18-12-14-22(15-13-18)26(24,25)23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3.
What are the key properties of N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide?
N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3259939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).