2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide

C16H18N2O2S — CID 2432038

IUPAC2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1cccc(C=NNS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C16H18N2O2S/c1-12-5-4-6-15(9-12)11-17-18-21(19,20)16-10-13(2)7-8-14(16)3/h4-11,18H,1-3H3
InChIKeyHVDRCQNWCVXHQN-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.92
Rot. Bonds4

About 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide

2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 2432038) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
PubChem CID2432038
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1cccc(C=NNS(=O)(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C16H18N2O2S/c1-12-5-4-6-15(9-12)11-17-18-21(19,20)16-10-13(2)7-8-14(16)3/h4-11,18H,1-3H3
InChIKeyHVDRCQNWCVXHQN-UHFFFAOYSA-N
XLogP2.92
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.92
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

5-tert-butyl-2-methyl-N-[(E)-(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515892
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,4-dimethylbenzenesulfonamide
CID 110517919
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
2,5-dimethyl-N-(pyridin-2-ylmethylideneamino)benzenesulfonamide
CID 4028994
2,5-dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 6892752
2,5-dimethyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 6908700
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135702068

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide (CID 2432038) is 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide is Cc1cccc(C=NNS(=O)(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is HVDRCQNWCVXHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-5-4-6-15(9-12)11-17-18-21(19,20)16-10-13(2)7-8-14(16)3/h4-11,18H,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide?
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 2432038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).