2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide

C16H19NO3S — CID 4775252

IUPAC2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide
SMILESCc1ccc(CONS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C16H19NO3S/c1-12-5-8-15(9-6-12)11-20-17-21(18,19)16-10-13(2)4-7-14(16)3/h4-10,17H,11H2,1-3H3
InChIKeyTXLPYWCWBRJUDI-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.02
Rot. Bonds5

About 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide

2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide (PubChem CID 4775252) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide
PubChem CID4775252
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide
SMILESCc1ccc(CONS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C16H19NO3S/c1-12-5-8-15(9-6-12)11-20-17-21(18,19)16-10-13(2)4-7-14(16)3/h4-10,17H,11H2,1-3H3
InChIKeyTXLPYWCWBRJUDI-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide (CID 4775252) is 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide is Cc1ccc(CONS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide?
The InChIKey is TXLPYWCWBRJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-5-8-15(9-6-12)11-20-17-21(18,19)16-10-13(2)4-7-14(16)3/h4-10,17H,11H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide?
2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide 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 2,5-dimethyl-N-[(4-methylphenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 4775252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).