N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide

C8H12ClNO2S2 — CID 47372490

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-2-14(11,12)10-6-5-7-3-4-8(9)13-7/h3-4,10H,2,5-6H2,1H3
InChIKeyJQLXHURQGDTENZ-UHFFFAOYSA-N
MW253.78 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide

N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide (PubChem CID 47372490) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
PubChem CID47372490
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-2-14(11,12)10-6-5-7-3-4-8(9)13-7/h3-4,10H,2,5-6H2,1H3
InChIKeyJQLXHURQGDTENZ-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3732014
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 3822285
2-(5-Chlorothiophen-2-yl)ethan-1-amine hydrochloride
CID 42943558
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 61363022
2-(5-Chlorothiophen-2-YL)ethan-1-amine
CID 12968025
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonyl chloride
CID 24689074
5-(2-Ethanesulfonamidoethyl)thiophene-2-sulfonamide
CID 43134135
2-(3-Chlorothiophen-2-yl)ethan-1-amine hydrochloride
CID 165994416
N-(2-(phenylsulfonyl)-2-(thiophen-2-yl)ethyl)methanesulfonamide
CID 18574208
[(3-Chloro-4-fluorophenyl)sulfonyl](2-thienylmethyl)amine
CID 697817
4-chloro-N-[2-(4-fluorobenzenesulfonyl)-2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 16829664
2-(Benzenesulfonyl)-2-(thiophen-2-yl)ethan-1-amine hydrochloride
CID 20982711

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide (CID 47372490) is N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide?
The InChIKey is JQLXHURQGDTENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-2-14(11,12)10-6-5-7-3-4-8(9)13-7/h3-4,10H,2,5-6H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide has a molecular weight of 253.78 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 47372490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).