2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C16H19NO3S — CID 118707170

IUPAC2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-8-6-5-7-14(15)20-4/h5-10,17H,1-4H3
InChIKeyPBBXWDGIVWJYBC-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.42
Rot. Bonds4

About 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide

2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 118707170) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID118707170
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-8-6-5-7-14(15)20-4/h5-10,17H,1-4H3
InChIKeyPBBXWDGIVWJYBC-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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 118707170) is 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is PBBXWDGIVWJYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-8-6-5-7-14(15)20-4/h5-10,17H,1-4H3.
What are the key properties of 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide 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 2-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 118707170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).