4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide

C18H18N2O3S — CID 3773100

IUPAC4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=CC2=Cc3ccccc3OC2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-7-9-17(10-8-13)24(21,22)20-19-12-16-11-15-5-3-4-6-18(15)23-14(16)2/h3-12,14,20H,1-2H3
InChIKeyRRZYNYDKSPBTTK-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.12
Rot. Bonds4

About 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide

4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 3773100) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide
PubChem CID3773100
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=CC2=Cc3ccccc3OC2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-7-9-17(10-8-13)24(21,22)20-19-12-16-11-15-5-3-4-6-18(15)23-14(16)2/h3-12,14,20H,1-2H3
InChIKeyRRZYNYDKSPBTTK-UHFFFAOYSA-N
XLogP3.12
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
(2R)-2-amino-3-methyl-N-[(Z)-[(2R)-2-methyl-2H-chromen-3-yl]methylideneamino]butanamide
CID 5423072
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5414860
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
4-methyl-N-[(Z)-[3-(triphenyl-λ5-phosphanylidene)cyclopenta-1,4-dien-1-yl]methylideneamino]benzenesulfonamide
CID 23661314
4-methyl-N-[(E)-pyren-1-ylmethylideneamino]benzenesulfonamide
CID 15103006
N-[[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 2002760
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide (CID 3773100) is 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)NN=CC2=Cc3ccccc3OC2C)cc1.
What is the InChIKey of 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is RRZYNYDKSPBTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-7-9-17(10-8-13)24(21,22)20-19-12-16-11-15-5-3-4-6-18(15)23-14(16)2/h3-12,14,20H,1-2H3.
What are the key properties of 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide?
4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-2H-chromen-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3773100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).