2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide

C18H20Cl2N2O4S — CID 68953815

IUPAC2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C18H20Cl2N2O4S/c1-22(2)12-9-13-16(25-3)7-6-15(18(13)26-10-12)21-27(23,24)17-8-11(19)4-5-14(17)20/h4-8,12,21H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyAGSMMOCTDRDTLS-GFCCVEGCSA-N
MW431.34 g/mol
LogP3.67
Rot. Bonds5

About 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide

2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide (PubChem CID 68953815) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
PubChem CID68953815
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c2c1C[C@@H](N(C)C)CO2
InChIInChI=1S/C18H20Cl2N2O4S/c1-22(2)12-9-13-16(25-3)7-6-15(18(13)26-10-12)21-27(23,24)17-8-11(19)4-5-14(17)20/h4-8,12,21H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyAGSMMOCTDRDTLS-GFCCVEGCSA-N
XLogP3.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]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-tert-butyl-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 15949035
2-cyano-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide
CID 68952502
N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-4-methylnaphthalene-1-sulfonamide
CID 15949694
(3R)-N-(3-chloro-4-fluorophenyl)-5-methoxy-3-[methyl(propan-2-yl)amino]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 11998900
N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 68956147
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
3,4-dichloro-N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 15950213
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,5-difluorobenzenesulfonamide
CID 73204327
N-[6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-2,3,4-trifluorobenzenesulfonamide
CID 73204197
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-5-ethyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 11999011
N-[(6S)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-fluoro-4-methoxybenzenesulfonamide
CID 68956567

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide (CID 68953815) is 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c2c1C[C@@H](N(C)C)CO2.
What is the InChIKey of 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide?
The InChIKey is AGSMMOCTDRDTLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-22(2)12-9-13-16(25-3)7-6-15(18(13)26-10-12)21-27(23,24)17-8-11(19)4-5-14(17)20/h4-8,12,21H,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide?
2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide has a molecular weight of 431.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3R)-3-(dimethylamino)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]benzenesulfonamide is sourced from PubChem (CID 68953815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).