N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide

C24H28N2O4S2 — CID 11134523

IUPACN-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(c1ccc(CCN(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C24H28N2O4S2/c1-31(27,28)26(32(2,29)30)24-15-13-21(14-16-24)17-18-25(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-16H,17-20H2,1-2H3
InChIKeyWERNHHURRIAGLG-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.66
Rot. Bonds10

About N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide

N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide (PubChem CID 11134523) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
PubChem CID11134523
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC NameN-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)N(c1ccc(CCN(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C24H28N2O4S2/c1-31(27,28)26(32(2,29)30)24-15-13-21(14-16-24)17-18-25(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-16H,17-20H2,1-2H3
InChIKeyWERNHHURRIAGLG-UHFFFAOYSA-N
XLogP3.66
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide (CID 11134523) is N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide is CS(=O)(=O)N(c1ccc(CCN(Cc2ccccc2)Cc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
The InChIKey is WERNHHURRIAGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-31(27,28)26(32(2,29)30)24-15-13-21(14-16-24)17-18-25(19-22-9-5-3-6-10-22)20-23-11-7-4-8-12-23/h3-16H,17-20H2,1-2H3.
What are the key properties of N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide?
N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide has a molecular weight of 472.63 g/mol, XLogP of 3.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dibenzylamino)ethyl]phenyl]-N-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 11134523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).