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

C7H7F2N3O4S — CID 133098943

IUPAC5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
SMILESCc1ncc(C(F)F)c([N+](=O)[O-])c1S(N)(=O)=O
InChIInChI=1S/C7H7F2N3O4S/c1-3-6(17(10,15)16)5(12(13)14)4(2-11-3)7(8)9/h2,7H,1H3,(H2,10,15,16)
InChIKeyMRKCIUGCCFPBDI-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.88
Rot. Bonds3

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

5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide (PubChem CID 133098943) has the molecular formula C7H7F2N3O4S and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
PubChem CID133098943
Molecular FormulaC7H7F2N3O4S
Molecular Weight267.21 g/mol
Exact Mass267.01
IUPAC Name5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide
SMILESCc1ncc(C(F)F)c([N+](=O)[O-])c1S(N)(=O)=O
InChIInChI=1S/C7H7F2N3O4S/c1-3-6(17(10,15)16)5(12(13)14)4(2-11-3)7(8)9/h2,7H,1H3,(H2,10,15,16)
InChIKeyMRKCIUGCCFPBDI-UHFFFAOYSA-N
XLogP0.88
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.88
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

3-bromo-5-(difluoromethyl)-4-nitropyridine-2-sulfonamide
CID 134685338
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-carboxamide
CID 133098851
4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
CID 134672433
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
3-(difluoromethyl)-5-nitropyridine-4-sulfonamide
CID 134670330
5-(difluoromethyl)-2-methyl-3-nitropyridine-4-carboxylic acid
CID 130088351
5-(difluoromethyl)-4-nitropyridine-2,3-diamine
CID 119023980
4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
CID 130106268
2-chloro-5-(difluoromethyl)-4-methylpyridine-3-sulfonamide
CID 119010660
4-amino-5-(difluoromethyl)-2-methylpyridine-3-sulfonyl chloride
CID 118800549
4-(difluoromethyl)-6-nitropyridine-3-sulfonamide
CID 118852112
4-(difluoromethyl)-5-hydroxy-3-nitropyridine-2-sulfonamide
CID 118801115

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide?
The IUPAC name of 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide (CID 133098943) is 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide.
What is the SMILES notation for 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide?
The canonical SMILES for 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide is Cc1ncc(C(F)F)c([N+](=O)[O-])c1S(N)(=O)=O.
What is the InChIKey of 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide?
The InChIKey is MRKCIUGCCFPBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O4S/c1-3-6(17(10,15)16)5(12(13)14)4(2-11-3)7(8)9/h2,7H,1H3,(H2,10,15,16).
What are the key properties of 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide?
5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide has a molecular weight of 267.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyl-4-nitropyridine-3-sulfonamide is sourced from PubChem (CID 133098943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).