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

C7H4ClF2N3O2S — CID 119017925

IUPAC2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide
SMILESN#Cc1c(S(N)(=O)=O)cc(C(F)F)nc1Cl
InChIInChI=1S/C7H4ClF2N3O2S/c8-6-3(2-11)5(16(12,14)15)1-4(13-6)7(9)10/h1,7H,(H2,12,14,15)
InChIKeySRKSZCNWRLAOHB-UHFFFAOYSA-N
MW267.64 g/mol
LogP1.19
Rot. Bonds2

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

2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide (PubChem CID 119017925) has the molecular formula C7H4ClF2N3O2S and a molecular weight of 267.64 g/mol. Its IUPAC name is 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide
PubChem CID119017925
Molecular FormulaC7H4ClF2N3O2S
Molecular Weight267.64 g/mol
Exact Mass266.97
IUPAC Name2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide
SMILESN#Cc1c(S(N)(=O)=O)cc(C(F)F)nc1Cl
InChIInChI=1S/C7H4ClF2N3O2S/c8-6-3(2-11)5(16(12,14)15)1-4(13-6)7(9)10/h1,7H,(H2,12,14,15)
InChIKeySRKSZCNWRLAOHB-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

4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118810649
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119004602
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
CID 119016503
4-amino-2-chloro-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130103127
4-chloro-5-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118805463
5-chloro-2-cyano-6-(difluoromethyl)pyridine-3-sulfonamide
CID 134685410
5-chloro-2-(difluoromethyl)pyridine-4-sulfonamide
CID 130095776
3-amino-6-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
CID 130104467
4-chloro-6-(difluoromethyl)pyridine-3-sulfonamide
CID 130095772
3-bromo-6-(difluoromethyl)-2-methylpyridine-4-sulfonamide
CID 130069661
2-cyano-6-(difluoromethyl)-4-fluoropyridine-3-sulfonamide
CID 134684129
6-(difluoromethyl)-3-iodo-2-methylpyridine-4-sulfonamide
CID 130086431

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide (CID 119017925) is 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide is N#Cc1c(S(N)(=O)=O)cc(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide?
The InChIKey is SRKSZCNWRLAOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3O2S/c8-6-3(2-11)5(16(12,14)15)1-4(13-6)7(9)10/h1,7H,(H2,12,14,15).
What are the key properties of 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide?
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-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 2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 119017925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).