1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide

C17H20ClNO4S — CID 99956217

IUPAC1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H20ClNO4S/c1-19(11-14-6-9-16(22-2)17(10-14)23-3)24(20,21)12-13-4-7-15(18)8-5-13/h4-10H,11-12H2,1-3H3
InChIKeyYECNWFGLADEACM-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.32
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide

1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 99956217) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
PubChem CID99956217
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H20ClNO4S/c1-19(11-14-6-9-16(22-2)17(10-14)23-3)24(20,21)12-13-4-7-15(18)8-5-13/h4-10H,11-12H2,1-3H3
InChIKeyYECNWFGLADEACM-UHFFFAOYSA-N
XLogP3.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide
CID 55246405
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
N-[(4-chlorophenyl)methyl]-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 56512990
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 31534310
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 7510031
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
3,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 39794842
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 30329404
methyl 4-[[(3,4-dichlorophenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 112822994
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide (CID 99956217) is 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide is COc1ccc(CN(C)S(=O)(=O)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is YECNWFGLADEACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-19(11-14-6-9-16(22-2)17(10-14)23-3)24(20,21)12-13-4-7-15(18)8-5-13/h4-10H,11-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide?
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 99956217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).