N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide

C15H19FN2O2S2 — CID 45003164

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C15H19FN2O2S2/c1-11-6-7-12(16)9-15(11)22(19,20)17-10-13(18(2)3)14-5-4-8-21-14/h4-9,13,17H,10H2,1-3H3
InChIKeyJDXANEMBWOJSLP-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 45003164) has the molecular formula C15H19FN2O2S2 and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
PubChem CID45003164
Molecular FormulaC15H19FN2O2S2
Molecular Weight342.46 g/mol
Exact Mass342.09
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C15H19FN2O2S2/c1-11-6-7-12(16)9-15(11)22(19,20)17-10-13(18(2)3)14-5-4-8-21-14/h4-9,13,17H,10H2,1-3H3
InChIKeyJDXANEMBWOJSLP-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide 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

2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
CID 51339573
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide
CID 134002347
N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 62134219
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 30835834
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815
N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621531
N,N-dimethyl-N'-(methylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621528
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
CID 112503228
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 41193593
2,5-difluoro-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 16829668
4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55352604

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide (CID 45003164) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is JDXANEMBWOJSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S2/c1-11-6-7-12(16)9-15(11)22(19,20)17-10-13(18(2)3)14-5-4-8-21-14/h4-9,13,17H,10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 45003164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).