N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide

C20H24FNO3S — CID 133189767

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2O1
InChIInChI=1S/C20H24FNO3S/c1-4-20(5-2)13-17(16-8-6-7-9-18(16)25-20)22-26(23,24)19-11-10-15(21)12-14(19)3/h6-12,17,22H,4-5,13H2,1-3H3
InChIKeyUMGFUQWVZCEUOH-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.50
Rot. Bonds5

About N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 133189767) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID133189767
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCCC1(CC)CC(NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2O1
InChIInChI=1S/C20H24FNO3S/c1-4-20(5-2)13-17(16-8-6-7-9-18(16)25-20)22-26(23,24)19-11-10-15(21)12-14(19)3/h6-12,17,22H,4-5,13H2,1-3H3
InChIKeyUMGFUQWVZCEUOH-UHFFFAOYSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide 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

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-5-fluoro-2-methoxybenzenesulfonamide
CID 133224858
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 133189812
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 100770415
N-[5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 133187537
1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide
CID 100511167
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide
CID 70398433
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 100768986
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 133210025
5-[(2,2-diethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 133166349
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 133264465

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 133189767) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide is CCC1(CC)CC(NS(=O)(=O)c2ccc(F)cc2C)c2ccccc2O1.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UMGFUQWVZCEUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-4-20(5-2)13-17(16-8-6-7-9-18(16)25-20)22-26(23,24)19-11-10-15(21)12-14(19)3/h6-12,17,22H,4-5,13H2,1-3H3.
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 377.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 133189767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).