N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide

C18H24N2O2S — CID 71920934

IUPACN-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCc2ccccc2)c(CN(C)C)c1
InChIInChI=1S/C18H24N2O2S/c1-15-9-10-18(17(13-15)14-20(2)3)19-23(21,22)12-11-16-7-5-4-6-8-16/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyCKPKVULHAFYBFW-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.04
Rot. Bonds7

About N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide

N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide (PubChem CID 71920934) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide
PubChem CID71920934
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CCc2ccccc2)c(CN(C)C)c1
InChIInChI=1S/C18H24N2O2S/c1-15-9-10-18(17(13-15)14-20(2)3)19-23(21,22)12-11-16-7-5-4-6-8-16/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyCKPKVULHAFYBFW-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide (CID 71920934) is N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide is Cc1ccc(NS(=O)(=O)CCc2ccccc2)c(CN(C)C)c1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide?
The InChIKey is CKPKVULHAFYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-15-9-10-18(17(13-15)14-20(2)3)19-23(21,22)12-11-16-7-5-4-6-8-16/h4-10,13,19H,11-12,14H2,1-3H3.
What are the key properties of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide?
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 71920934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).