N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide

C19H26N2O3S — CID 113098997

IUPACN-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2C)c(C)c1
InChIInChI=1S/C19H26N2O3S/c1-6-21(7-2)16-8-10-18(14(3)12-16)20-25(22,23)19-11-9-17(24-5)13-15(19)4/h8-13,20H,6-7H2,1-5H3
InChIKeyOTYSJESEYWAOIL-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.96
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide

N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 113098997) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID113098997
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2C)c(C)c1
InChIInChI=1S/C19H26N2O3S/c1-6-21(7-2)16-8-10-18(14(3)12-16)20-25(22,23)19-11-9-17(24-5)13-15(19)4/h8-13,20H,6-7H2,1-5H3
InChIKeyOTYSJESEYWAOIL-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylamino)-2-pyridinyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113029763
N-(4-methoxy-2-methylphenyl)-2-methylbenzenesulfonamide
CID 62997670
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600
4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 1020031
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
2-bromo-4-fluoro-N-(4-methoxy-2-methylphenyl)benzenesulfonamide
CID 62871190
N-[4-(diethylamino)-2-methylphenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009543
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
N-(4-methoxy-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62871193
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
CID 3535359
N-(4-methoxy-2-methylphenyl)methanesulfonamide
CID 15851883

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide (CID 113098997) is N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is OTYSJESEYWAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-6-21(7-2)16-8-10-18(14(3)12-16)20-25(22,23)19-11-9-17(24-5)13-15(19)4/h8-13,20H,6-7H2,1-5H3.
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 113098997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).