2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide

C8H8ClN3O2S2 — CID 107061618

IUPAC2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide
SMILESN#Cc1ccnc(SCCS(N)(=O)=O)c1Cl
InChIInChI=1S/C8H8ClN3O2S2/c9-7-6(5-10)1-2-12-8(7)15-3-4-16(11,13)14/h1-2H,3-4H2,(H2,11,13,14)
InChIKeyXXUCNTDAJUMQDP-UHFFFAOYSA-N
MW277.76 g/mol
LogP0.99
Rot. Bonds4

About 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide

2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide (PubChem CID 107061618) has the molecular formula C8H8ClN3O2S2 and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide
PubChem CID107061618
Molecular FormulaC8H8ClN3O2S2
Molecular Weight277.76 g/mol
Exact Mass276.97
IUPAC Name2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide
SMILESN#Cc1ccnc(SCCS(N)(=O)=O)c1Cl
InChIInChI=1S/C8H8ClN3O2S2/c9-7-6(5-10)1-2-12-8(7)15-3-4-16(11,13)14/h1-2H,3-4H2,(H2,11,13,14)
InChIKeyXXUCNTDAJUMQDP-UHFFFAOYSA-N
XLogP0.99
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide?
The IUPAC name of 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide (CID 107061618) is 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide.
What is the SMILES notation for 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide?
The canonical SMILES for 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide is N#Cc1ccnc(SCCS(N)(=O)=O)c1Cl.
What is the InChIKey of 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide?
The InChIKey is XXUCNTDAJUMQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S2/c9-7-6(5-10)1-2-12-8(7)15-3-4-16(11,13)14/h1-2H,3-4H2,(H2,11,13,14).
What are the key properties of 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide?
2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide has a molecular weight of 277.76 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide is sourced from PubChem (CID 107061618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).