3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide

C7H7BrF2N2O3S — CID 130069062

IUPAC3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
SMILESCOc1nc(S(N)(=O)=O)c(Br)cc1C(F)F
InChIInChI=1S/C7H7BrF2N2O3S/c1-15-6-3(5(9)10)2-4(8)7(12-6)16(11,13)14/h2,5H,1H3,(H2,11,13,14)
InChIKeyPCPLNQZKUQOKMG-UHFFFAOYSA-N
MW317.11 g/mol
LogP1.44
Rot. Bonds3

About 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide

3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide (PubChem CID 130069062) has the molecular formula C7H7BrF2N2O3S and a molecular weight of 317.11 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
PubChem CID130069062
Molecular FormulaC7H7BrF2N2O3S
Molecular Weight317.11 g/mol
Exact Mass315.93
IUPAC Name3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
SMILESCOc1nc(S(N)(=O)=O)c(Br)cc1C(F)F
InChIInChI=1S/C7H7BrF2N2O3S/c1-15-6-3(5(9)10)2-4(8)7(12-6)16(11,13)14/h2,5H,1H3,(H2,11,13,14)
InChIKeyPCPLNQZKUQOKMG-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

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Related Compounds

5-chloro-3-(difluoromethyl)-6-methoxypyridine-2-sulfonamide
CID 134669477
2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
CID 119011483
[3-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068914
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
4-bromo-6-(difluoromethyl)-2-methoxypyridine-3-sulfonamide
CID 118850937
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 130069038
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
4-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-sulfonamide
CID 118801223
6-bromo-3-(difluoromethyl)-5-fluoropyridine-2-sulfonamide
CID 118995452
2-(difluoromethyl)-6-methoxy-5-methylpyridine-3-sulfonamide
CID 119025071
6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-sulfonamide
CID 134664686

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide?
The IUPAC name of 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide (CID 130069062) is 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide is COc1nc(S(N)(=O)=O)c(Br)cc1C(F)F.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide?
The InChIKey is PCPLNQZKUQOKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O3S/c1-15-6-3(5(9)10)2-4(8)7(12-6)16(11,13)14/h2,5H,1H3,(H2,11,13,14).
What are the key properties of 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide?
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-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 3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-sulfonamide is sourced from PubChem (CID 130069062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).