6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide

C7H4ClF2N3O2S — CID 130071480

IUPAC6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
SMILESN#Cc1cc(Cl)nc(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H4ClF2N3O2S/c8-4-1-3(2-11)6(16(12,14)15)5(13-4)7(9)10/h1,7H,(H2,12,14,15)
InChIKeyPXXHIECNHAJELU-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.19
Rot. Bonds2

About 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide

6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide (PubChem CID 130071480) has the molecular formula C7H4ClF2N3O2S and a molecular weight of 267.64 g/mol. Its IUPAC name is 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
PubChem CID130071480
Molecular FormulaC7H4ClF2N3O2S
Molecular Weight267.64 g/mol
Exact Mass266.97
IUPAC Name6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide
SMILESN#Cc1cc(Cl)nc(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H4ClF2N3O2S/c8-4-1-3(2-11)6(16(12,14)15)5(13-4)7(9)10/h1,7H,(H2,12,14,15)
InChIKeyPXXHIECNHAJELU-UHFFFAOYSA-N
XLogP1.19
TPSA96.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(difluoromethyl)-4-iodopyridine-3-sulfonamide
CID 130073584
6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134686189
6-bromo-4-cyano-2-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130109159
2-amino-5-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 119021912
6-chloro-2-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 130072903
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
CID 130077820
4-chloro-5-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118805463
5-cyano-2-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 130077095
5-chloro-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 134685410
2,4-dichloro-6-cyanobenzenesulfonamide
CID 171007997
5-chloro-4-cyano-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130071456
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide (CID 130071480) is 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide is N#Cc1cc(Cl)nc(C(F)F)c1S(N)(=O)=O.
What is the InChIKey of 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide?
The InChIKey is PXXHIECNHAJELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3O2S/c8-4-1-3(2-11)6(16(12,14)15)5(13-4)7(9)10/h1,7H,(H2,12,14,15).
What are the key properties of 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide?
6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide has a molecular weight of 267.64 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-cyano-2-(difluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 130071480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).