N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide

C15H22N2O4S2 — CID 57270810

IUPACN-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide
SMILESC=CS(=O)(=O)N(CC)c1cccc(N(CCC)S(=O)(=O)C=C)c1
InChIInChI=1S/C15H22N2O4S2/c1-5-12-17(23(20,21)8-4)15-11-9-10-14(13-15)16(6-2)22(18,19)7-3/h7-11,13H,3-6,12H2,1-2H3
InChIKeyVFPMQAFNUPKCRF-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.68
Rot. Bonds9

About N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide

N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide (PubChem CID 57270810) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide.

Molecular Properties

Compound NameN-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide
PubChem CID57270810
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC NameN-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide
SMILESC=CS(=O)(=O)N(CC)c1cccc(N(CCC)S(=O)(=O)C=C)c1
InChIInChI=1S/C15H22N2O4S2/c1-5-12-17(23(20,21)8-4)15-11-9-10-14(13-15)16(6-2)22(18,19)7-3/h7-11,13H,3-6,12H2,1-2H3
InChIKeyVFPMQAFNUPKCRF-UHFFFAOYSA-N
XLogP2.68
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide?
The IUPAC name of N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide (CID 57270810) is N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide.
What is the SMILES notation for N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide?
The canonical SMILES for N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide is C=CS(=O)(=O)N(CC)c1cccc(N(CCC)S(=O)(=O)C=C)c1.
What is the InChIKey of N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide?
The InChIKey is VFPMQAFNUPKCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-5-12-17(23(20,21)8-4)15-11-9-10-14(13-15)16(6-2)22(18,19)7-3/h7-11,13H,3-6,12H2,1-2H3.
What are the key properties of N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide?
N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 2.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethenylsulfonyl(propyl)amino]phenyl]-N-ethylethenesulfonamide is sourced from PubChem (CID 57270810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).