N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide

C16H18ClNO3S — CID 110780305

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCOc1ccc(Cl)cc1CNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C16H18ClNO3S/c1-12-4-3-5-13(8-12)11-22(19,20)18-10-14-9-15(17)6-7-16(14)21-2/h3-9,18H,10-11H2,1-2H3
InChIKeyVIIMIXLHPKZYDK-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.28
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide (PubChem CID 110780305) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
PubChem CID110780305
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
SMILESCOc1ccc(Cl)cc1CNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C16H18ClNO3S/c1-12-4-3-5-13(8-12)11-22(19,20)18-10-14-9-15(17)6-7-16(14)21-2/h3-9,18H,10-11H2,1-2H3
InChIKeyVIIMIXLHPKZYDK-UHFFFAOYSA-N
XLogP3.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluorobenzenesulfonamide
CID 110780300
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
N-[(3-ethoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 92672631
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 29344573
N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777958
N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984763

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide (CID 110780305) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide is COc1ccc(Cl)cc1CNS(=O)(=O)Cc1cccc(C)c1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is VIIMIXLHPKZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-12-4-3-5-13(8-12)11-22(19,20)18-10-14-9-15(17)6-7-16(14)21-2/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110780305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).