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

C16H19NO3S — CID 110779879

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1CNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C16H19NO3S/c1-12-8-9-15(20-3)14(10-12)11-17-21(18,19)16-7-5-4-6-13(16)2/h4-10,17H,11H2,1-3H3
InChIKeyDPVKOEAVCCMXKW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.79
Rot. Bonds5

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

N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 110779879) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID110779879
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1CNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C16H19NO3S/c1-12-8-9-15(20-3)14(10-12)11-17-21(18,19)16-7-5-4-6-13(16)2/h4-10,17H,11H2,1-3H3
InChIKeyDPVKOEAVCCMXKW-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-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185
N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzenesulfonamide
CID 110780745
N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 110779866
N-[(2-methoxy-5-methylphenyl)methyl]thiophene-2-sulfonamide
CID 35606425
2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639542
2-[(dimethylsulfamoylamino)methyl]-1-methoxy-4-methylbenzene
CID 35606173
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
4-[(2-methoxy-5-methylphenyl)methylsulfamoyl]benzoic acid
CID 110779875
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-[(2-methoxy-5-methylphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35606688
N-[(2-methoxy-5-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779880
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide (CID 110779879) is N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide is COc1ccc(C)cc1CNS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is DPVKOEAVCCMXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-8-9-15(20-3)14(10-12)11-17-21(18,19)16-7-5-4-6-13(16)2/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide?
N-[(2-methoxy-5-methylphenyl)methyl]-2-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]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110779879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).