2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide

C13H14ClFN2O2S2 — CID 106003833

IUPAC2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1CN)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClFN2O2S2/c1-8(11-4-5-13(14)20-11)17-21(18,19)12-6-10(15)3-2-9(12)7-16/h2-6,8,17H,7,16H2,1H3
InChIKeyMWOXGXORUZYKCL-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.04
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide

2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide (PubChem CID 106003833) has the molecular formula C13H14ClFN2O2S2 and a molecular weight of 348.85 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide
PubChem CID106003833
Molecular FormulaC13H14ClFN2O2S2
Molecular Weight348.85 g/mol
Exact Mass348.02
IUPAC Name2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1CN)c1ccc(Cl)s1
InChIInChI=1S/C13H14ClFN2O2S2/c1-8(11-4-5-13(14)20-11)17-21(18,19)12-6-10(15)3-2-9(12)7-16/h2-6,8,17H,7,16H2,1H3
InChIKeyMWOXGXORUZYKCL-UHFFFAOYSA-N
XLogP3.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide (CID 106003833) is 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1cc(F)ccc1CN)c1ccc(Cl)s1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide?
The InChIKey is MWOXGXORUZYKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2S2/c1-8(11-4-5-13(14)20-11)17-21(18,19)12-6-10(15)3-2-9(12)7-16/h2-6,8,17H,7,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide?
2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide has a molecular weight of 348.85 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106003833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).