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

C9H11ClN2O2S2 — CID 106035235

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H11ClN2O2S2/c1-7(6-11)16(13,14)12-5-4-8-2-3-9(10)15-8/h2-3,7,12H,4-5H2,1H3
InChIKeyPCLXZOBBYHTZCP-UHFFFAOYSA-N
MW278.79 g/mol
LogP1.78
Rot. Bonds5

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide (PubChem CID 106035235) has the molecular formula C9H11ClN2O2S2 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide
PubChem CID106035235
Molecular FormulaC9H11ClN2O2S2
Molecular Weight278.79 g/mol
Exact Mass278.00
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C9H11ClN2O2S2/c1-7(6-11)16(13,14)12-5-4-8-2-3-9(10)15-8/h2-3,7,12H,4-5H2,1H3
InChIKeyPCLXZOBBYHTZCP-UHFFFAOYSA-N
XLogP1.78
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cyano-N-[2-(4-fluorophenyl)ethyl]ethanesulfonamide
CID 97054576
2-(5-chlorothiophen-2-yl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 114140350
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
CID 106041745
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106034931
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114142728
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106095186
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 103809470
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106034665
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide (CID 106035235) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide is CC(C#N)S(=O)(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide?
The InChIKey is PCLXZOBBYHTZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S2/c1-7(6-11)16(13,14)12-5-4-8-2-3-9(10)15-8/h2-3,7,12H,4-5H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide has a molecular weight of 278.79 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyanoethanesulfonamide is sourced from PubChem (CID 106035235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).