N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide

C9H14ClNO2S2 — CID 61363022

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)CC
InChIInChI=1S/C9H14ClNO2S2/c1-3-11(15(12,13)4-2)7-8-5-6-9(10)14-8/h5-6H,3-4,7H2,1-2H3
InChIKeyLXCOGXXFAJTRPC-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.57
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide (PubChem CID 61363022) has the molecular formula C9H14ClNO2S2 and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
PubChem CID61363022
Molecular FormulaC9H14ClNO2S2
Molecular Weight267.80 g/mol
Exact Mass267.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)CC
InChIInChI=1S/C9H14ClNO2S2/c1-3-11(15(12,13)4-2)7-8-5-6-9(10)14-8/h5-6H,3-4,7H2,1-2H3
InChIKeyLXCOGXXFAJTRPC-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((4-Chlorophenyl)sulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805672
(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6919104
4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519190
(2R)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6929479
2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 2820267
5-chloro-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 3822285
4-chloro-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4792768
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
1-[(2-Chlorophenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 20895702
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylethanesulfonamide
CID 53585682
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methoxyethanesulfonamide
CID 72152016
N,N-bis(thiophen-2-ylmethyl)methanesulfonamide
CID 53519530

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide (CID 61363022) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)CC.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide?
The InChIKey is LXCOGXXFAJTRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2S2/c1-3-11(15(12,13)4-2)7-8-5-6-9(10)14-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide has a molecular weight of 267.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide is sourced from PubChem (CID 61363022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).