N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide

C17H21NO3S — CID 668980

IUPACN-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-7-5-6-8-16(15)21-4/h5-10,18H,11H2,1-4H3
InChIKeyPRFUHFMKTNCRRP-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.10
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide

N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 668980) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID668980
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-7-5-6-8-16(15)21-4/h5-10,18H,11H2,1-4H3
InChIKeyPRFUHFMKTNCRRP-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-N-9H-xanthen-9-yl-benzenesulfonamide
CID 233085
N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-methoxy-N-(4-methylbenzyl)benzenesulfonamide
CID 743491
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 779351
N-benzyl-4-fluoro-3-methoxybenzenesulfonamide
CID 700246
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
N-[1-(4-methoxy-2,3-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725496
N-[1-(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 72725549
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 90656557

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide (CID 668980) is N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is PRFUHFMKTNCRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-9-13(2)17(14(3)10-12)22(19,20)18-11-15-7-5-6-8-16(15)21-4/h5-10,18H,11H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2-methoxyphenyl)methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.10, 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]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 668980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).