6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide

C7H7BrF2N2O3S — CID 130069045

IUPAC6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide
SMILESCOc1c(S(N)(=O)=O)cc(Br)nc1C(F)F
InChIInChI=1S/C7H7BrF2N2O3S/c1-15-6-3(16(11,13)14)2-4(8)12-5(6)7(9)10/h2,7H,1H3,(H2,11,13,14)
InChIKeyNXJCJZGUMWGJQH-UHFFFAOYSA-N
MW317.11 g/mol
LogP1.44
Rot. Bonds3

About 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide

6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide (PubChem CID 130069045) has the molecular formula C7H7BrF2N2O3S and a molecular weight of 317.11 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide
PubChem CID130069045
Molecular FormulaC7H7BrF2N2O3S
Molecular Weight317.11 g/mol
Exact Mass315.93
IUPAC Name6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide
SMILESCOc1c(S(N)(=O)=O)cc(Br)nc1C(F)F
InChIInChI=1S/C7H7BrF2N2O3S/c1-15-6-3(16(11,13)14)2-4(8)12-5(6)7(9)10/h2,7H,1H3,(H2,11,13,14)
InChIKeyNXJCJZGUMWGJQH-UHFFFAOYSA-N
XLogP1.44
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.11
LogP ≤ 51.44
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

2-(difluoromethyl)-3,6-dimethoxypyridine-4-sulfonyl chloride
CID 118837893
2-(difluoromethyl)-6-methoxy-5-methylpyridine-3-sulfonamide
CID 119025071
6-(difluoromethyl)-3-methoxy-2-methylpyridine-4-sulfonamide
CID 133098978
2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
CID 119008964
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 130069038
6-(difluoromethyl)-5-methoxy-2-methylpyridine-3-sulfonamide
CID 118826062
5-chloro-6-(difluoromethyl)-4-methoxypyridine-3-sulfonamide
CID 134686410
5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130102347
5-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130095356
6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
2-(difluoromethyl)-6-iodo-4-methoxypyridine-3-sulfonamide
CID 119008795
4-bromo-6-(difluoromethyl)-2-methoxypyridine-3-sulfonamide
CID 118850937

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide?
The IUPAC name of 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide (CID 130069045) is 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide is COc1c(S(N)(=O)=O)cc(Br)nc1C(F)F.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide?
The InChIKey is NXJCJZGUMWGJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O3S/c1-15-6-3(16(11,13)14)2-4(8)12-5(6)7(9)10/h2,7H,1H3,(H2,11,13,14).
What are the key properties of 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide?
6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide has a molecular weight of 317.11 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide is sourced from PubChem (CID 130069045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).