4-(difluoromethyl)-6-nitropyridine-3-sulfonamide

C6H5F2N3O4S — CID 118852112

IUPAC4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C6H5F2N3O4S/c7-6(8)3-1-5(11(12)13)10-2-4(3)16(9,14)15/h1-2,6H,(H2,9,14,15)
InChIKeyNSVVDCZVYSKXTD-UHFFFAOYSA-N
MW253.19 g/mol
LogP0.57
Rot. Bonds3

About 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide

4-(difluoromethyl)-6-nitropyridine-3-sulfonamide (PubChem CID 118852112) has the molecular formula C6H5F2N3O4S and a molecular weight of 253.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
PubChem CID118852112
Molecular FormulaC6H5F2N3O4S
Molecular Weight253.19 g/mol
Exact Mass253.00
IUPAC Name4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnc([N+](=O)[O-])cc1C(F)F
InChIInChI=1S/C6H5F2N3O4S/c7-6(8)3-1-5(11(12)13)10-2-4(3)16(9,14)15/h1-2,6H,(H2,9,14,15)
InChIKeyNSVVDCZVYSKXTD-UHFFFAOYSA-N
XLogP0.57
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354
2-[4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118835055
3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
4-(difluoromethyl)-6-fluoro-5-nitropyridine-2-sulfonamide
CID 118807407
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
CID 133098943
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
3-(difluoromethyl)-5-nitropyridine-4-sulfonamide
CID 134670330
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
3-chloro-4-(difluoromethyl)-6-nitropyridine-2-sulfonyl chloride
CID 131446502
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide?
The IUPAC name of 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide (CID 118852112) is 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide?
The canonical SMILES for 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide is NS(=O)(=O)c1cnc([N+](=O)[O-])cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide?
The InChIKey is NSVVDCZVYSKXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O4S/c7-6(8)3-1-5(11(12)13)10-2-4(3)16(9,14)15/h1-2,6H,(H2,9,14,15).
What are the key properties of 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide?
4-(difluoromethyl)-6-nitropyridine-3-sulfonamide has a molecular weight of 253.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-nitropyridine-3-sulfonamide is sourced from PubChem (CID 118852112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).