1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide

C16H18ClNO4S — CID 46772712

IUPAC1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C16H18ClNO4S/c1-21-15-8-7-12(9-16(15)22-2)10-18-23(19,20)11-13-5-3-4-6-14(13)17/h3-9,18H,10-11H2,1-2H3
InChIKeyPFCNRYBTVZAXFG-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.98
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide (PubChem CID 46772712) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
PubChem CID46772712
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C16H18ClNO4S/c1-21-15-8-7-12(9-16(15)22-2)10-18-23(19,20)11-13-5-3-4-6-14(13)17/h3-9,18H,10-11H2,1-2H3
InChIKeyPFCNRYBTVZAXFG-UHFFFAOYSA-N
XLogP2.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]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

2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
1-(2-chlorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]methanesulfonamide
CID 110730618
1-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111175564
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 4716490
N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
CID 47371248
2-[benzenesulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460404
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
(2-chlorophenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CID 7427771

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide (CID 46772712) is 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide is COc1ccc(CNS(=O)(=O)Cc2ccccc2Cl)cc1OC.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide?
The InChIKey is PFCNRYBTVZAXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-15-8-7-12(9-16(15)22-2)10-18-23(19,20)11-13-5-3-4-6-14(13)17/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 46772712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).