2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide

C23H22N2O3S — CID 3955887

IUPAC2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=C2CC(c3ccccc3)Oc3ccccc32)c1
InChIInChI=1S/C23H22N2O3S/c1-16-12-13-17(2)23(14-16)29(26,27)25-24-20-15-22(18-8-4-3-5-9-18)28-21-11-7-6-10-19(20)21/h3-14,22,25H,15H2,1-2H3
InChIKeyODSGGVLVNSOGPK-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.51
Rot. Bonds4

About 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide

2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide (PubChem CID 3955887) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
PubChem CID3955887
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NN=C2CC(c3ccccc3)Oc3ccccc32)c1
InChIInChI=1S/C23H22N2O3S/c1-16-12-13-17(2)23(14-16)29(26,27)25-24-20-15-22(18-8-4-3-5-9-18)28-21-11-7-6-10-19(20)21/h3-14,22,25H,15H2,1-2H3
InChIKeyODSGGVLVNSOGPK-UHFFFAOYSA-N
XLogP4.51
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.51
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'}

Analyze 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-nitro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide
CID 42912401
N-(fluoren-9-ylideneamino)-2,5-dimethylbenzenesulfonamide
CID 4297375
(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazine
CID 5468257
N-(10H-anthracen-9-ylideneamino)-2,5-dimethylbenzenesulfonamide
CID 2326133
ethyl N-[(Z)-[(2S)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]carbamate
CID 8972691
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine
CID 71898402
4-methyl-2-[(2E)-2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136726342
4-methyl-2-[2-(2-phenyl-2,3-dihydrochromen-4-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135441871
2,4,6-trichloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
CID 3586864
4-chloro-N-[[(2R)-2-phenyl-2,3-dihydrochromen-4-ylidene]amino]aniline
CID 7415283
2-chloro-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]aniline
CID 3538487
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide (CID 3955887) is 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NN=C2CC(c3ccccc3)Oc3ccccc32)c1.
What is the InChIKey of 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
The InChIKey is ODSGGVLVNSOGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16-12-13-17(2)23(14-16)29(26,27)25-24-20-15-22(18-8-4-3-5-9-18)28-21-11-7-6-10-19(20)21/h3-14,22,25H,15H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide?
2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide has a molecular weight of 406.51 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]benzenesulfonamide is sourced from PubChem (CID 3955887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).