N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide

C20H28N2O2S — CID 3535359

IUPACN-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C20H28N2O2S/c1-6-22(7-2)18-10-13-20(16(5)14-18)21-25(23,24)19-11-8-17(9-12-19)15(3)4/h8-15,21H,6-7H2,1-5H3
InChIKeyKFKPTOOSDLCJFC-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.77
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide

N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 3535359) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID3535359
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1
InChIInChI=1S/C20H28N2O2S/c1-6-22(7-2)18-10-13-20(16(5)14-18)21-25(23,24)19-11-8-17(9-12-19)15(3)4/h8-15,21H,6-7H2,1-5H3
InChIKeyKFKPTOOSDLCJFC-UHFFFAOYSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[4-(diethylamino)-2-methylphenyl]benzenesulfonamide
CID 1020031
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
3-[[4-(diethylamino)-2-methylphenyl]sulfamoyl]benzoic acid
CID 25043576
N-[4-(diethylamino)-2-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025113
N-[4-(diethylamino)-2-methylphenyl]naphthalene-1-sulfonamide
CID 3863600
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N-[4-(diethylamino)-2-methylphenyl]-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105717
N-[4-(diethylamino)-2-methylphenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113098997
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
1-N-(4-chloro-2-methylphenyl)-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 2681540
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
3-fluoro-4-[(4-propan-2-ylphenyl)sulfonylamino]benzenesulfonamide
CID 60579391

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide (CID 3535359) is N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is KFKPTOOSDLCJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-6-22(7-2)18-10-13-20(16(5)14-18)21-25(23,24)19-11-8-17(9-12-19)15(3)4/h8-15,21H,6-7H2,1-5H3.
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide?
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3535359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).