N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide

C18H24N2O4S2 — CID 46231365

IUPACN-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide
SMILESCCN(CCN(CC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O4S2/c1-3-19(25(21,22)17-11-7-5-8-12-17)15-16-20(4-2)26(23,24)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyFNNDRRFMYGHYLO-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.41
Rot. Bonds9

About N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide

N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide (PubChem CID 46231365) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide
PubChem CID46231365
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide
SMILESCCN(CCN(CC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H24N2O4S2/c1-3-19(25(21,22)17-11-7-5-8-12-17)15-16-20(4-2)26(23,24)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyFNNDRRFMYGHYLO-UHFFFAOYSA-N
XLogP2.41
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide?
The IUPAC name of N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide (CID 46231365) is N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide is CCN(CCN(CC)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide?
The InChIKey is FNNDRRFMYGHYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-3-19(25(21,22)17-11-7-5-8-12-17)15-16-20(4-2)26(23,24)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide?
N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzenesulfonyl(ethyl)amino]ethyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 46231365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).