(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide

C16H17NO2S — CID 155906264

IUPAC(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
SMILESC/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C16H17NO2S/c1-12-8-10-15(11-9-12)20(18,19)17-14(3)16-7-5-4-6-13(16)2/h4-11H,1-3H3/b17-14+
InChIKeyDOHGDMFKWKDVFV-SAPNQHFASA-N
MW287.38 g/mol
LogP3.50
Rot. Bonds3

About (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide

(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide (PubChem CID 155906264) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
PubChem CID155906264
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
SMILESC/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1C
InChIInChI=1S/C16H17NO2S/c1-12-8-10-15(11-9-12)20(18,19)17-14(3)16-7-5-4-6-13(16)2/h4-11H,1-3H3/b17-14+
InChIKeyDOHGDMFKWKDVFV-SAPNQHFASA-N
XLogP3.50
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NE)-4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethylidene]benzenesulfonamide
CID 71816820
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 4030330
4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
4-methylbenzenesulfonic acid;2-methylbenzoic acid
CID 175869263
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
4-methylbenzenesulfonic acid;phthalic acid
CID 87829306
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide
CID 177455956
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
CID 134847359

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide (CID 155906264) is (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide is C/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1C.
What is the InChIKey of (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide?
The InChIKey is DOHGDMFKWKDVFV-SAPNQHFASA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-8-10-15(11-9-12)20(18,19)17-14(3)16-7-5-4-6-13(16)2/h4-11H,1-3H3/b17-14+.
What are the key properties of (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide?
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide is sourced from PubChem (CID 155906264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).