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

C7H7BrF2N2O3S — CID 119008964

IUPAC2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
SMILESCOc1cc(S(N)(=O)=O)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H7BrF2N2O3S/c1-15-4-2-3(16(11,13)14)5(7(9)10)6(8)12-4/h2,7H,1H3,(H2,11,13,14)
InChIKeyBVICFUXTFTXZNW-UHFFFAOYSA-N
MW317.11 g/mol
LogP1.44
Rot. Bonds3

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

2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide (PubChem CID 119008964) has the molecular formula C7H7BrF2N2O3S and a molecular weight of 317.11 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
PubChem CID119008964
Molecular FormulaC7H7BrF2N2O3S
Molecular Weight317.11 g/mol
Exact Mass315.93
IUPAC Name2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide
SMILESCOc1cc(S(N)(=O)=O)c(C(F)F)c(Br)n1
InChIInChI=1S/C7H7BrF2N2O3S/c1-15-4-2-3(16(11,13)14)5(7(9)10)6(8)12-4/h2,7H,1H3,(H2,11,13,14)
InChIKeyBVICFUXTFTXZNW-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'}

Analyze 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118996815
3-(difluoromethyl)-4-fluoro-6-methoxypyridine-2-sulfonamide
CID 133105151
3-(difluoromethyl)-4-iodo-6-methoxypyridine-2-sulfonamide
CID 130085864
6-bromo-2-(difluoromethyl)-3-methoxypyridine-4-sulfonamide
CID 130069045
2-(difluoromethyl)-6-methoxy-5-methylpyridine-3-sulfonamide
CID 119025071
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130069630
4-amino-6-bromo-5-(difluoromethyl)pyridine-3-sulfonamide
CID 118817717
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 130069038
2,6-diamino-3-(difluoromethyl)pyridine-4-sulfonamide
CID 119003766
3-(difluoromethyl)-2,6-diiodopyridine-4-sulfonamide
CID 134671949
5-amino-6-bromo-2-(difluoromethyl)pyridine-3-sulfonamide
CID 130102347
6-amino-3-(difluoromethyl)-2-fluoropyridine-4-sulfonamide
CID 130104441

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide?
The IUPAC name of 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide (CID 119008964) is 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide is COc1cc(S(N)(=O)=O)c(C(F)F)c(Br)n1.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide?
The InChIKey is BVICFUXTFTXZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O3S/c1-15-4-2-3(16(11,13)14)5(7(9)10)6(8)12-4/h2,7H,1H3,(H2,11,13,14).
What are the key properties of 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide?
2-bromo-3-(difluoromethyl)-6-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 2-bromo-3-(difluoromethyl)-6-methoxypyridine-4-sulfonamide is sourced from PubChem (CID 119008964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).