2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide

C14H17ClN2O2S2 — CID 106049907

IUPAC2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)NCCc2ccsc2)c1
InChIInChI=1S/C14H17ClN2O2S2/c1-16-9-12-2-3-13(15)14(8-12)21(18,19)17-6-4-11-5-7-20-10-11/h2-3,5,7-8,10,16-17H,4,6,9H2,1H3
InChIKeyJBJUBFFMYXAOGT-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.64
Rot. Bonds7

About 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide

2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 106049907) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID106049907
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCNCc1ccc(Cl)c(S(=O)(=O)NCCc2ccsc2)c1
InChIInChI=1S/C14H17ClN2O2S2/c1-16-9-12-2-3-13(15)14(8-12)21(18,19)17-6-4-11-5-7-20-10-11/h2-3,5,7-8,10,16-17H,4,6,9H2,1H3
InChIKeyJBJUBFFMYXAOGT-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049842
2-methyl-3-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106050066
2-chloro-5-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106067992
2-chloro-5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055614
2-chloro-5-(methylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]benzenesulfonamide
CID 106085332
4-methyl-2-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106049854
2-chloro-5-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383869
2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 54953527
3-amino-5-bromo-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 114379338
3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 115588783
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 106049882
2-chloro-5-(ethylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106069862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide (CID 106049907) is 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide is CNCc1ccc(Cl)c(S(=O)(=O)NCCc2ccsc2)c1.
What is the InChIKey of 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is JBJUBFFMYXAOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-16-9-12-2-3-13(15)14(8-12)21(18,19)17-6-4-11-5-7-20-10-11/h2-3,5,7-8,10,16-17H,4,6,9H2,1H3.
What are the key properties of 2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
2-chloro-5-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.64, 7 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-(2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106049907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).