N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide

C16H19NO3S — CID 779111

IUPACN-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)21(18,19)17-14-6-5-7-15(10-14)20-4/h5-10,17H,1-4H3
InChIKeyMCWPJMNQELOKHN-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.42
Rot. Bonds4

About N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide

N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 779111) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID779111
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)21(18,19)17-14-6-5-7-15(10-14)20-4/h5-10,17H,1-4H3
InChIKeyMCWPJMNQELOKHN-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257405
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
2,4,6-trimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 110759298
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-(3-cyclopentylsulfonylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 38945156
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide (CID 779111) is N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide is COc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is MCWPJMNQELOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)21(18,19)17-14-6-5-7-15(10-14)20-4/h5-10,17H,1-4H3.
What are the key properties of N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 779111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).