2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide

C17H19Cl2NO4S — CID 8778154

IUPAC2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1cc(C)c(CN(C)S(=O)(=O)c2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H19Cl2NO4S/c1-11-8-14(23-3)15(24-4)9-12(11)10-20(2)25(21,22)16-7-5-6-13(18)17(16)19/h5-9H,10H2,1-4H3
InChIKeyRPVKOTOYUAARQT-UHFFFAOYSA-N
MW404.32 g/mol
LogP4.14
Rot. Bonds6

About 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide

2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 8778154) has the molecular formula C17H19Cl2NO4S and a molecular weight of 404.32 g/mol. Its IUPAC name is 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID8778154
Molecular FormulaC17H19Cl2NO4S
Molecular Weight404.32 g/mol
Exact Mass403.04
IUPAC Name2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1cc(C)c(CN(C)S(=O)(=O)c2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C17H19Cl2NO4S/c1-11-8-14(23-3)15(24-4)9-12(11)10-20(2)25(21,22)16-7-5-6-13(18)17(16)19/h5-9H,10H2,1-4H3
InChIKeyRPVKOTOYUAARQT-UHFFFAOYSA-N
XLogP4.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2,4-trimethylbenzenesulfonamide
CID 8778152
N-(2,3-dichlorophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550699
N-[(2,3-dichlorophenyl)methyl]-2-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 39621487
(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide
CID 8778167
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 8778170
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
N-[3-[(2-chlorophenyl)methyl-methylsulfamoyl]-4-methoxyphenyl]acetamide
CID 9320671
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-nitrobenzenesulfonamide
CID 35302707
2,3-dichloro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55060829
3-chloro-N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 37497114

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide (CID 8778154) is 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide is COc1cc(C)c(CN(C)S(=O)(=O)c2cccc(Cl)c2Cl)cc1OC.
What is the InChIKey of 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is RPVKOTOYUAARQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO4S/c1-11-8-14(23-3)15(24-4)9-12(11)10-20(2)25(21,22)16-7-5-6-13(18)17(16)19/h5-9H,10H2,1-4H3.
What are the key properties of 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide?
2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 404.32 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 8778154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).