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

C17H21NO4S — CID 834802

IUPAC4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NOCc2ccccc2)c(C)c1C
InChIInChI=1S/C17H21NO4S/c1-12-10-16(21-4)13(2)14(3)17(12)23(19,20)18-22-11-15-8-6-5-7-9-15/h5-10,18H,11H2,1-4H3
InChIKeyCVFIVZFMVIFZCG-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.03
Rot. Bonds6

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

4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide (PubChem CID 834802) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide
PubChem CID834802
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NOCc2ccccc2)c(C)c1C
InChIInChI=1S/C17H21NO4S/c1-12-10-16(21-4)13(2)14(3)17(12)23(19,20)18-22-11-15-8-6-5-7-9-15/h5-10,18H,11H2,1-4H3
InChIKeyCVFIVZFMVIFZCG-UHFFFAOYSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-((2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 9543487
2,7,8-Trimethyl-2-(4-methylpentyl)-3,4-dihydrochromene-6-sulfonamide
CID 89943874
4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
CID 562787
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
Methyl 2,3,5-trimethyl-4-(4-morpholinylsulfonyl)phenyl ether
CID 1085560
US9156811, Ddd71291
CID 10381289
4-Methoxy-2-methyl-5-(propan-2-yl)benzene-1-sulfonamide
CID 1232467
[(4-Methoxy-2,3-dimethylphenyl)sulfonyl]dimethylamine
CID 6473466
4-(Propan-2-yloxy)naphthalene-1-sulfonamide
CID 37479566
N,N-bis(2-((4-tolylsulfonyl)oxy)ethyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 5744447
2,5-Bis[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-1,6,2,5-dioxadiazocane
CID 1018087
4-methoxy-2,3-dimethyl-N-phenethylbenzenesulfonamide
CID 8721904

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide?
The IUPAC name of 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide (CID 834802) is 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NOCc2ccccc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide?
The InChIKey is CVFIVZFMVIFZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-10-16(21-4)13(2)14(3)17(12)23(19,20)18-22-11-15-8-6-5-7-9-15/h5-10,18H,11H2,1-4H3.
What are the key properties of 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide?
4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,6-trimethyl-N-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 834802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).