3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide

C7H7F2N3O5S — CID 133087554

IUPAC3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
SMILESCOc1c([N+](=O)[O-])cnc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H7F2N3O5S/c1-17-5-3(12(13)14)2-11-7(18(10,15)16)4(5)6(8)9/h2,6H,1H3,(H2,10,15,16)
InChIKeyPXBNQSVOULOVRC-UHFFFAOYSA-N
MW283.21 g/mol
LogP0.58
Rot. Bonds4

About 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide

3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide (PubChem CID 133087554) has the molecular formula C7H7F2N3O5S and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
PubChem CID133087554
Molecular FormulaC7H7F2N3O5S
Molecular Weight283.21 g/mol
Exact Mass283.01
IUPAC Name3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide
SMILESCOc1c([N+](=O)[O-])cnc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H7F2N3O5S/c1-17-5-3(12(13)14)2-11-7(18(10,15)16)4(5)6(8)9/h2,6H,1H3,(H2,10,15,16)
InChIKeyPXBNQSVOULOVRC-UHFFFAOYSA-N
XLogP0.58
TPSA125.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
3-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134670336
6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
CID 133087549
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115
4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
CID 118806375
5-chloro-4-(difluoromethyl)-3-nitropyridine-2-sulfonamide
CID 134685598
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
CID 133087613
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
CID 134686343
methyl 2-(difluoromethyl)-4-methoxy-5-nitropyridine-3-carboxylate
CID 133099332
3-(difluoromethyl)-4,5-difluoropyridine-2-sulfonamide
CID 118840960
5-methyl-3-nitropyridine-2-sulfonamide
CID 19378728

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide (CID 133087554) is 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide is COc1c([N+](=O)[O-])cnc(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide?
The InChIKey is PXBNQSVOULOVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O5S/c1-17-5-3(12(13)14)2-11-7(18(10,15)16)4(5)6(8)9/h2,6H,1H3,(H2,10,15,16).
What are the key properties of 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide?
3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide has a molecular weight of 283.21 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methoxy-5-nitropyridine-2-sulfonamide is sourced from PubChem (CID 133087554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).