3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide

C13H11ClN2O2S2 — CID 115588783

IUPAC3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccsc2)cc1Cl
InChIInChI=1S/C13H11ClN2O2S2/c14-13-7-12(2-1-11(13)8-15)20(17,18)16-5-3-10-4-6-19-9-10/h1-2,4,6-7,9,16H,3,5H2
InChIKeyOQFQWKWQQDSBGD-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.79
Rot. Bonds5

About 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide

3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 115588783) has the molecular formula C13H11ClN2O2S2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID115588783
Molecular FormulaC13H11ClN2O2S2
Molecular Weight326.83 g/mol
Exact Mass326.00
IUPAC Name3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCc2ccsc2)cc1Cl
InChIInChI=1S/C13H11ClN2O2S2/c14-13-7-12(2-1-11(13)8-15)20(17,18)16-5-3-10-4-6-19-9-10/h1-2,4,6-7,9,16H,3,5H2
InChIKeyOQFQWKWQQDSBGD-UHFFFAOYSA-N
XLogP2.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115598540
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
4-cyano-3-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 106833060
3-chloro-4-cyano-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 55903921
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
CID 112691993
3-chloro-4-cyano-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693945
3-chloro-4-cyano-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628680
3-chloro-4-cyano-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 51115598
3-amino-4-nitro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 82847383

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide (CID 115588783) is 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCc2ccsc2)cc1Cl.
What is the InChIKey of 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is OQFQWKWQQDSBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S2/c14-13-7-12(2-1-11(13)8-15)20(17,18)16-5-3-10-4-6-19-9-10/h1-2,4,6-7,9,16H,3,5H2.
What are the key properties of 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide?
3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 326.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 115588783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).