N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide

C24H27FN2O2S — CID 71584278

IUPACN-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27FN2O2S/c1-4-26(5-2)22-14-8-20(9-15-22)18-27(23-12-6-19(3)7-13-23)30(28,29)24-16-10-21(25)11-17-24/h6-17H,4-5,18H2,1-3H3
InChIKeySWLJKGMUZJJJMA-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.38
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide

N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 71584278) has the molecular formula C24H27FN2O2S and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID71584278
Molecular FormulaC24H27FN2O2S
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
SMILESCCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H27FN2O2S/c1-4-26(5-2)22-14-8-20(9-15-22)18-27(23-12-6-19(3)7-13-23)30(28,29)24-16-10-21(25)11-17-24/h6-17H,4-5,18H2,1-3H3
InChIKeySWLJKGMUZJJJMA-UHFFFAOYSA-N
XLogP5.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide (CID 71584278) is N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide is CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is SWLJKGMUZJJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2S/c1-4-26(5-2)22-14-8-20(9-15-22)18-27(23-12-6-19(3)7-13-23)30(28,29)24-16-10-21(25)11-17-24/h6-17H,4-5,18H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide?
N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 426.56 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 71584278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).