N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide

C18H24N2O2S — CID 71623286

IUPACN-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-4-20(5-2)17-10-8-16(9-11-17)14-19-23(21,22)18-12-6-15(3)7-13-18/h6-13,19H,4-5,14H2,1-3H3
InChIKeyOVRJHKGJQSEERX-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.32
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide

N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 71623286) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
PubChem CID71623286
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-4-20(5-2)17-10-8-16(9-11-17)14-19-23(21,22)18-12-6-15(3)7-13-18/h6-13,19H,4-5,14H2,1-3H3
InChIKeyOVRJHKGJQSEERX-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
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-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide (CID 71623286) is N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide is CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is OVRJHKGJQSEERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-4-20(5-2)17-10-8-16(9-11-17)14-19-23(21,22)18-12-6-15(3)7-13-18/h6-13,19H,4-5,14H2,1-3H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide?
N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71623286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).