N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide

C12H20N2O4S2 — CID 113065032

IUPACN-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)N(CCNS(=O)(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C12H20N2O4S2/c1-11(2)14(19(3,15)16)10-9-13-20(17,18)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyNXGOHYMPFHSOEY-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.63
Rot. Bonds7

About N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide

N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 113065032) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID113065032
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC NameN-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCC(C)N(CCNS(=O)(=O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C12H20N2O4S2/c1-11(2)14(19(3,15)16)10-9-13-20(17,18)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3
InChIKeyNXGOHYMPFHSOEY-UHFFFAOYSA-N
XLogP0.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-fluorobenzenesulfonamide
CID 113065646
2-[2-(benzenesulfonamido)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913396
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-(2-methylsulfonylethyl)benzenesulfonamide
CID 63090699
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113069714
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113066106
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide (CID 113065032) is N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide is CC(C)N(CCNS(=O)(=O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is NXGOHYMPFHSOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-11(2)14(19(3,15)16)10-9-13-20(17,18)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3.
What are the key properties of N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 320.44 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113065032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).