N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide

C16H19NO3S — CID 110779808

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1C
InChIInChI=1S/C16H19NO3S/c1-12-4-7-15(8-5-12)21(18,19)17-11-14-6-9-16(20-3)13(2)10-14/h4-10,17H,11H2,1-3H3
InChIKeyYVDGLYBNIZNVTG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.79
Rot. Bonds5

About N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide

N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 110779808) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID110779808
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1C
InChIInChI=1S/C16H19NO3S/c1-12-4-7-15(8-5-12)21(18,19)17-11-14-6-9-16(20-3)13(2)10-14/h4-10,17H,11H2,1-3H3
InChIKeyYVDGLYBNIZNVTG-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

2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902
4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 110782101
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
5-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]benzene-1,3-dicarboxylic acid
CID 23517612
4-methoxy-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 741472
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide (CID 110779808) is N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is YVDGLYBNIZNVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-4-7-15(8-5-12)21(18,19)17-11-14-6-9-16(20-3)13(2)10-14/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide?
N-[(4-methoxy-3-methylphenyl)methyl]-4-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-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110779808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).