N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide

C16H19NO3S — CID 110779866

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H19NO3S/c1-12-5-4-6-15(10-12)21(18,19)17-11-14-9-13(2)7-8-16(14)20-3/h4-10,17H,11H2,1-3H3
InChIKeyAVBZDKIKEJARSM-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.79
Rot. Bonds5

About N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide

N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide (PubChem CID 110779866) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
PubChem CID110779866
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H19NO3S/c1-12-5-4-6-15(10-12)21(18,19)17-11-14-9-13(2)7-8-16(14)20-3/h4-10,17H,11H2,1-3H3
InChIKeyAVBZDKIKEJARSM-UHFFFAOYSA-N
XLogP2.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
N-[(2-methoxy-5-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779880
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
4-[(2-methoxy-5-methylphenyl)methylsulfamoyl]benzoic acid
CID 110779875
N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
CID 35606425
2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
CID 35606173
N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110779876
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107234034
N-[(5-chloro-2-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3596534
N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide (CID 110779866) is N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide is COc1ccc(C)cc1CNS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide?
The InChIKey is AVBZDKIKEJARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-5-4-6-15(10-12)21(18,19)17-11-14-9-13(2)7-8-16(14)20-3/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide?
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 110779866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).