4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide

C16H19NO3S — CID 3706716

IUPAC4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1C
InChIInChI=1S/C16H19NO3S/c1-11-10-15(20-4)12(2)13(3)16(11)21(18,19)17-14-8-6-5-7-9-14/h5-10,17H,1-4H3
InChIKeyWITUUZUOFBSACB-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.42
Rot. Bonds4

About 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide

4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide (PubChem CID 3706716) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide
PubChem CID3706716
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1C
InChIInChI=1S/C16H19NO3S/c1-11-10-15(20-4)12(2)13(3)16(11)21(18,19)17-14-8-6-5-7-9-14/h5-10,17H,1-4H3
InChIKeyWITUUZUOFBSACB-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 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide (CID 3706716) is 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide?
The InChIKey is WITUUZUOFBSACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-10-15(20-4)12(2)13(3)16(11)21(18,19)17-14-8-6-5-7-9-14/h5-10,17H,1-4H3.
What are the key properties of 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide?
4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide 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 4-methoxy-2,3,6-trimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3706716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).