N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide

C24H23NO3S — CID 70686428

IUPACN-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide
SMILESCC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)ccc2O1
InChIInChI=1S/C24H23NO3S/c1-24(2)16-15-20-17-19(13-14-23(20)28-24)18-25(21-9-5-3-6-10-21)29(26,27)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3
InChIKeyRMVXJZBJMUPCEH-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.27
Rot. Bonds5

About N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide

N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide (PubChem CID 70686428) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide
PubChem CID70686428
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC NameN-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide
SMILESCC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)ccc2O1
InChIInChI=1S/C24H23NO3S/c1-24(2)16-15-20-17-19(13-14-23(20)28-24)18-25(21-9-5-3-6-10-21)29(26,27)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3
InChIKeyRMVXJZBJMUPCEH-UHFFFAOYSA-N
XLogP5.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide (CID 70686428) is N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide is CC1(C)C=Cc2cc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)ccc2O1.
What is the InChIKey of N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide?
The InChIKey is RMVXJZBJMUPCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-24(2)16-15-20-17-19(13-14-23(20)28-24)18-25(21-9-5-3-6-10-21)29(26,27)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3.
What are the key properties of N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide?
N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 70686428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).