2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide

C16H19NO3S — CID 60681294

IUPAC2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NOCc2ccccc2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-12-9-13(2)16(14(3)10-12)21(18,19)17-20-11-15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3
InChIKeyHPSMPLZJYKLTMA-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.02
Rot. Bonds5

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

2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide (PubChem CID 60681294) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
PubChem CID60681294
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NOCc2ccccc2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-12-9-13(2)16(14(3)10-12)21(18,19)17-20-11-15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3
InChIKeyHPSMPLZJYKLTMA-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-N-phenylmethoxybenzenesulfonamide
CID 60681319
2-methylsulfonyl-N-phenylmethoxybenzenesulfonamide
CID 129056966
2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
CID 137396760
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
2,4,6-trimethyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 101115397
(2R)-3-(benzylamino)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 45270951
(diethylsulfamoylamino)oxymethylbenzene
CID 60713784
2-methyl-N-phenylmethoxypropane-1-sulfonamide
CID 64973774
2-methoxy-N-phenylmethoxyethanesulfonamide
CID 64973771
methyl (E,4S,5S)-4-hydroxy-6-phenylmethoxy-5-[(2,4,6-trimethylphenyl)sulfonylamino]hex-2-enoate
CID 10837149
2,4,6-trimethyl-N-[1-(4-methylphenyl)sulfonyl-2-phenylethyl]benzenesulfonamide
CID 102155530
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide (CID 60681294) is 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NOCc2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide?
The InChIKey is HPSMPLZJYKLTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-9-13(2)16(14(3)10-12)21(18,19)17-20-11-15-7-5-4-6-8-15/h4-10,17H,11H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide?
2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-phenylmethoxybenzenesulfonamide is sourced from PubChem (CID 60681294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).