N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide

C15H17NO3S — CID 3841493

IUPACN-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H17NO3S/c1-12-6-5-8-14(10-12)20(17,18)16-11-13-7-3-4-9-15(13)19-2/h3-10,16H,11H2,1-2H3
InChIKeyORPVBTWQFHJVPJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.48
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide

N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 3841493) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID3841493
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C15H17NO3S/c1-12-6-5-8-14(10-12)20(17,18)16-11-13-7-3-4-9-15(13)19-2/h3-10,16H,11H2,1-2H3
InChIKeyORPVBTWQFHJVPJ-UHFFFAOYSA-N
XLogP2.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631
N-[(2-methoxyphenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164415
N-[(2-methoxy-5-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779880
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
4-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 172793035
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide (CID 3841493) is N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is ORPVBTWQFHJVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-6-5-8-14(10-12)20(17,18)16-11-13-7-3-4-9-15(13)19-2/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide?
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 3841493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).