5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide

C13H10ClN3O3S — CID 82916776

IUPAC5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide
SMILESN#Cc1cc(COc2ccc(Cl)cc2S(N)(=O)=O)ccn1
InChIInChI=1S/C13H10ClN3O3S/c14-10-1-2-12(13(6-10)21(16,18)19)20-8-9-3-4-17-11(5-9)7-15/h1-6H,8H2,(H2,16,18,19)
InChIKeySSSTXUPTOUWZTM-UHFFFAOYSA-N
MW323.76 g/mol
LogP1.83
Rot. Bonds4

About 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide

5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide (PubChem CID 82916776) has the molecular formula C13H10ClN3O3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide
PubChem CID82916776
Molecular FormulaC13H10ClN3O3S
Molecular Weight323.76 g/mol
Exact Mass323.01
IUPAC Name5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide
SMILESN#Cc1cc(COc2ccc(Cl)cc2S(N)(=O)=O)ccn1
InChIInChI=1S/C13H10ClN3O3S/c14-10-1-2-12(13(6-10)21(16,18)19)20-8-9-3-4-17-11(5-9)7-15/h1-6H,8H2,(H2,16,18,19)
InChIKeySSSTXUPTOUWZTM-UHFFFAOYSA-N
XLogP1.83
TPSA106.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide?
The IUPAC name of 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide (CID 82916776) is 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide is N#Cc1cc(COc2ccc(Cl)cc2S(N)(=O)=O)ccn1.
What is the InChIKey of 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide?
The InChIKey is SSSTXUPTOUWZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S/c14-10-1-2-12(13(6-10)21(16,18)19)20-8-9-3-4-17-11(5-9)7-15/h1-6H,8H2,(H2,16,18,19).
What are the key properties of 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide?
5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide has a molecular weight of 323.76 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-cyano-4-pyridinyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82916776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).