N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide

C16H18N2O2S — CID 5397914

IUPACN-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
SMILESCC(C)/C(=N\NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-13(2)16(14-9-5-3-6-10-14)17-18-21(19,20)15-11-7-4-8-12-15/h3-13,18H,1-2H3/b17-16+
InChIKeyRXJOKQWCCKSWQM-WUKNDPDISA-N
MW302.40 g/mol
LogP3.03
Rot. Bonds5

About N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide

N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide (PubChem CID 5397914) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
PubChem CID5397914
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide
SMILESCC(C)/C(=N\NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-13(2)16(14-9-5-3-6-10-14)17-18-21(19,20)15-11-7-4-8-12-15/h3-13,18H,1-2H3/b17-16+
InChIKeyRXJOKQWCCKSWQM-WUKNDPDISA-N
XLogP3.03
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(1-cyclopropyl-2-methylpropylidene)amino]benzenesulfonamide
CID 177489049
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]benzenesulfonamide
CID 136656380
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
N-[(Z)-3-oxobutan-2-ylideneamino]benzenesulfonamide
CID 6371801
[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate
CID 142494385
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide?
The IUPAC name of N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide (CID 5397914) is N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide is CC(C)/C(=N\NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide?
The InChIKey is RXJOKQWCCKSWQM-WUKNDPDISA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-13(2)16(14-9-5-3-6-10-14)17-18-21(19,20)15-11-7-4-8-12-15/h3-13,18H,1-2H3/b17-16+.
What are the key properties of N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide?
N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzenesulfonamide is sourced from PubChem (CID 5397914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).