N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide

C14H24N2O4S2 — CID 42960034

IUPACN-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O4S2/c1-5-16(6-2)12(3)11-15-22(19,20)14-9-7-13(8-10-14)21(4,17)18/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyOWDRHAWINOIPKS-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.10
Rot. Bonds8

About N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide

N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide (PubChem CID 42960034) has the molecular formula C14H24N2O4S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
PubChem CID42960034
Molecular FormulaC14H24N2O4S2
Molecular Weight348.49 g/mol
Exact Mass348.12
IUPAC NameN-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
SMILESCCN(CC)C(C)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O4S2/c1-5-16(6-2)12(3)11-15-22(19,20)14-9-7-13(8-10-14)21(4,17)18/h7-10,12,15H,5-6,11H2,1-4H3
InChIKeyOWDRHAWINOIPKS-UHFFFAOYSA-N
XLogP1.10
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide 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-(diethylamino)propyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 60532350
4-[[(2S)-2-(diethylamino)propyl]sulfamoyl]-N,N-diethylbenzamide
CID 95341841
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110620380
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
N-[(2R)-2-(diethylamino)propyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42343407
2,6-dichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 46457714
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246
N-[(2S)-2-benzyl-3-methylbutyl]-4-methylsulfonylbenzenesulfonamide
CID 124728851
2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 55871539

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide (CID 42960034) is N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide is CCN(CC)C(C)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide?
The InChIKey is OWDRHAWINOIPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S2/c1-5-16(6-2)12(3)11-15-22(19,20)14-9-7-13(8-10-14)21(4,17)18/h7-10,12,15H,5-6,11H2,1-4H3.
What are the key properties of N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide?
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide has a molecular weight of 348.49 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 42960034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).