2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide

C13H19ClN2O2S2 — CID 106084371

IUPAC2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)NC2CCSCC2)c1
InChIInChI=1S/C13H19ClN2O2S2/c1-15-9-10-2-3-12(14)13(8-10)20(17,18)16-11-4-6-19-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeyOSKCKNKXXQZTHS-UHFFFAOYSA-N
MW334.89 g/mol
LogP2.23
Rot. Bonds5

About 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide

2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide (PubChem CID 106084371) has the molecular formula C13H19ClN2O2S2 and a molecular weight of 334.89 g/mol. Its IUPAC name is 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
PubChem CID106084371
Molecular FormulaC13H19ClN2O2S2
Molecular Weight334.89 g/mol
Exact Mass334.06
IUPAC Name2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)NC2CCSCC2)c1
InChIInChI=1S/C13H19ClN2O2S2/c1-15-9-10-2-3-12(14)13(8-10)20(17,18)16-11-4-6-19-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3
InChIKeyOSKCKNKXXQZTHS-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)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

5-(ethylaminomethyl)-2-methyl-N-(thian-4-yl)benzenesulfonamide
CID 106084377
2-chloro-N-(1,4-dithian-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106078391
5-chloro-2-fluoro-3-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084530
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
CID 120998895
5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025172
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
2-chloro-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018832
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
2-bromo-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025360
2-chloro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000943
4-[2-(methylamino)ethyl]-N-(thian-4-yl)benzenesulfonamide
CID 106084491
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide (CID 106084371) is 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide is CNCc1ccc(Cl)c(S(=O)(=O)NC2CCSCC2)c1.
What is the InChIKey of 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide?
The InChIKey is OSKCKNKXXQZTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S2/c1-15-9-10-2-3-12(14)13(8-10)20(17,18)16-11-4-6-19-7-5-11/h2-3,8,11,15-16H,4-7,9H2,1H3.
What are the key properties of 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide?
2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide has a molecular weight of 334.89 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylaminomethyl)-N-(thian-4-yl)benzenesulfonamide is sourced from PubChem (CID 106084371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).