N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide

C13H22N2O4S2 — CID 113068747

IUPACN-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C13H22N2O4S2/c1-4-11-21(18,19)14-9-10-15(20(3,16)17)13-7-5-12(2)6-8-13/h5-8,14H,4,9-11H2,1-3H3
InChIKeyVWFQQGCWRRGOEL-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.09
Rot. Bonds8

About N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide

N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide (PubChem CID 113068747) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
PubChem CID113068747
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC NameN-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C13H22N2O4S2/c1-4-11-21(18,19)14-9-10-15(20(3,16)17)13-7-5-12(2)6-8-13/h5-8,14H,4,9-11H2,1-3H3
InChIKeyVWFQQGCWRRGOEL-UHFFFAOYSA-N
XLogP1.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide 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-(4-ethoxy-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113070641
4-ethyl-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068757
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113069281
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070529
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068888
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068823
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113068739
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
3-(4-methyl-N-methylsulfonylanilino)-N,N-dipropylpropanamide
CID 113141932
2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068496
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113070022
N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113069972

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide (CID 113068747) is N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide?
The InChIKey is VWFQQGCWRRGOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-4-11-21(18,19)14-9-10-15(20(3,16)17)13-7-5-12(2)6-8-13/h5-8,14H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide?
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide has a molecular weight of 334.46 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 113068747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).