N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide

C16H18N2O4S2 — CID 137357878

IUPACN-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(CS(=O)(=O)c1ccccc1)=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S2/c1-13-8-10-16(11-9-13)24(21,22)18-17-14(2)12-23(19,20)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3/b17-14+
InChIKeyPQHYTIBXKYDWNW-SAPNQHFASA-N
MW366.46 g/mol
LogP2.12
Rot. Bonds6

About N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide

N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide (PubChem CID 137357878) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
PubChem CID137357878
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(CS(=O)(=O)c1ccccc1)=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H18N2O4S2/c1-13-8-10-16(11-9-13)24(21,22)18-17-14(2)12-23(19,20)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3/b17-14+
InChIKeyPQHYTIBXKYDWNW-SAPNQHFASA-N
XLogP2.12
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
4-methyl-N-[(E)-4-phenylmethoxybutan-2-ylideneamino]benzenesulfonamide
CID 177447392
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
1-(4-methylphenyl)sulfonylpropan-2-ylidenehydrazine
CID 71437493
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[(E)-[(1E)-1-hydroxyimino-1-phenylpropan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 135666045
1-[2-(benzenesulfonyl)prop-2-enylsulfonyl]-4-methylbenzene
CID 40578886
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
4-methyl-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzenesulfonamide
CID 6016881

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide (CID 137357878) is N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide is C/C(CS(=O)(=O)c1ccccc1)=N\NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is PQHYTIBXKYDWNW-SAPNQHFASA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-13-8-10-16(11-9-13)24(21,22)18-17-14(2)12-23(19,20)15-6-4-3-5-7-15/h3-11,18H,12H2,1-2H3/b17-14+.
What are the key properties of N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 137357878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).