6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide

C6H4ClF2IN2O2S — CID 119025115

IUPAC6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(I)c(C(F)F)c(Cl)n1
InChIInChI=1S/C6H4ClF2IN2O2S/c7-5-4(6(8)9)2(10)1-3(12-5)15(11,13)14/h1,6H,(H2,11,13,14)
InChIKeyKERJCLHDCAOKBL-UHFFFAOYSA-N
MW368.53 g/mol
LogP1.92
Rot. Bonds2

About 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide

6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide (PubChem CID 119025115) has the molecular formula C6H4ClF2IN2O2S and a molecular weight of 368.53 g/mol. Its IUPAC name is 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide
PubChem CID119025115
Molecular FormulaC6H4ClF2IN2O2S
Molecular Weight368.53 g/mol
Exact Mass367.87
IUPAC Name6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide
SMILESNS(=O)(=O)c1cc(I)c(C(F)F)c(Cl)n1
InChIInChI=1S/C6H4ClF2IN2O2S/c7-5-4(6(8)9)2(10)1-3(12-5)15(11,13)14/h1,6H,(H2,11,13,14)
InChIKeyKERJCLHDCAOKBL-UHFFFAOYSA-N
XLogP1.92
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonamide
CID 130103126
[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]methanamine
CID 130073082
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678
4-amino-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118828999
4-bromo-6-chloro-5-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 118811600
6-chloro-5-(difluoromethyl)pyridine-2-sulfonamide
CID 119001822
5-amino-4-chloro-6-(difluoromethyl)pyridine-2-sulfonamide
CID 130103115
3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide
CID 130085864
4-(difluoromethyl)-5-iodo-6-methylpyridine-2-sulfonamide
CID 118840925
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-sulfonamide
CID 130073589
6-chloro-2-(difluoromethyl)-4-iodopyridine-3-sulfonamide
CID 130073584
methyl 2-[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134663513

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide?
The IUPAC name of 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide (CID 119025115) is 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide.
What is the SMILES notation for 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide?
The canonical SMILES for 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide is NS(=O)(=O)c1cc(I)c(C(F)F)c(Cl)n1.
What is the InChIKey of 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide?
The InChIKey is KERJCLHDCAOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2IN2O2S/c7-5-4(6(8)9)2(10)1-3(12-5)15(11,13)14/h1,6H,(H2,11,13,14).
What are the key properties of 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide?
6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide has a molecular weight of 368.53 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(difluoromethyl)-4-iodopyridine-2-sulfonamide is sourced from PubChem (CID 119025115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).