N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide

C12H15ClN2O2S3 — CID 106095186

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2O2S3/c1-14-8-10-11(5-7-18-10)20(16,17)15-6-4-9-2-3-12(13)19-9/h2-3,5,7,14-15H,4,6,8H2,1H3
InChIKeyGYZYRVGKQXGPRE-UHFFFAOYSA-N
MW350.92 g/mol
LogP2.70
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106095186) has the molecular formula C12H15ClN2O2S3 and a molecular weight of 350.92 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106095186
Molecular FormulaC12H15ClN2O2S3
Molecular Weight350.92 g/mol
Exact Mass350.00
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H15ClN2O2S3/c1-14-8-10-11(5-7-18-10)20(16,17)15-6-4-9-2-3-12(13)19-9/h2-3,5,7,14-15H,4,6,8H2,1H3
InChIKeyGYZYRVGKQXGPRE-UHFFFAOYSA-N
XLogP2.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-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

2-(methylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 114141131
N-[3-(dimethylamino)propyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114132383
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
2-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)thiophene-3-sulfonamide
CID 115522943
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114142728
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665
4-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048712

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106095186) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is GYZYRVGKQXGPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S3/c1-14-8-10-11(5-7-18-10)20(16,17)15-6-4-9-2-3-12(13)19-9/h2-3,5,7,14-15H,4,6,8H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 350.92 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106095186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).