1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide

C20H23Cl2NO3S — CID 100511167

IUPAC1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide
SMILESCCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2O1
InChIInChI=1S/C20H23Cl2NO3S/c1-3-20(4-2)12-18(15-7-5-6-8-19(15)26-20)23-27(24,25)13-14-9-10-16(21)17(22)11-14/h5-11,18,23H,3-4,12-13H2,1-2H3/t18-/m0/s1
InChIKeyIJMPHFHRRDBLAN-SFHVURJKSA-N
MW428.38 g/mol
LogP5.50
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide

1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide (PubChem CID 100511167) has the molecular formula C20H23Cl2NO3S and a molecular weight of 428.38 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide
PubChem CID100511167
Molecular FormulaC20H23Cl2NO3S
Molecular Weight428.38 g/mol
Exact Mass427.08
IUPAC Name1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide
SMILESCCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2O1
InChIInChI=1S/C20H23Cl2NO3S/c1-3-20(4-2)12-18(15-7-5-6-8-19(15)26-20)23-27(24,25)13-14-9-10-16(21)17(22)11-14/h5-11,18,23H,3-4,12-13H2,1-2H3/t18-/m0/s1
InChIKeyIJMPHFHRRDBLAN-SFHVURJKSA-N
XLogP5.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.38
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide 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

3-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100592838
1-(3,4-dichlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)methanesulfonamide
CID 56581813
(2S)-2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]propanamide
CID 125061074
2-chloro-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-5-(methanesulfonamido)benzamide
CID 100528225
5-bromo-2-chloro-N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537655
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-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 133189767
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-5-fluoro-2-methoxybenzenesulfonamide
CID 133224858
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133162780
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide (CID 100511167) is 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide is CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2O1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide?
The InChIKey is IJMPHFHRRDBLAN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23Cl2NO3S/c1-3-20(4-2)12-18(15-7-5-6-8-19(15)26-20)23-27(24,25)13-14-9-10-16(21)17(22)11-14/h5-11,18,23H,3-4,12-13H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide?
1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide has a molecular weight of 428.38 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]methanesulfonamide is sourced from PubChem (CID 100511167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).