3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide

C7H7F2N3O4S — CID 133098938

IUPAC3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
SMILESCc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H7F2N3O4S/c1-3-2-4(12(13)14)11-7(17(10,15)16)5(3)6(8)9/h2,6H,1H3,(H2,10,15,16)
InChIKeyICJWGQFTLUMSCX-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.88
Rot. Bonds3

About 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide

3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide (PubChem CID 133098938) has the molecular formula C7H7F2N3O4S and a molecular weight of 267.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
PubChem CID133098938
Molecular FormulaC7H7F2N3O4S
Molecular Weight267.21 g/mol
Exact Mass267.01
IUPAC Name3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide
SMILESCc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F
InChIInChI=1S/C7H7F2N3O4S/c1-3-2-4(12(13)14)11-7(17(10,15)16)5(3)6(8)9/h2,6H,1H3,(H2,10,15,16)
InChIKeyICJWGQFTLUMSCX-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

4-amino-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118812167
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
CID 133087613
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130069630
ethyl 2-[3-(difluoromethyl)-4-methyl-6-nitro-2-pyridinyl]acetate
CID 133099088
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
[3-(difluoromethyl)-2-methyl-6-nitro-4-pyridinyl]methanamine
CID 130088155
3-(difluoromethyl)-4,6-diiodopyridine-2-sulfonamide
CID 134677678
3-(difluoromethyl)-2-iodo-6-nitropyridine-4-sulfonyl chloride
CID 131451806
3-(difluoromethyl)-4-fluoro-6-methoxypyridine-2-sulfonamide
CID 133105151
3-(difluoromethyl)-4-fluoro-5-nitropyridine-2-sulfonamide
CID 133104372
4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
CID 118851470
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide (CID 133098938) is 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide is Cc1cc([N+](=O)[O-])nc(S(N)(=O)=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide?
The InChIKey is ICJWGQFTLUMSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O4S/c1-3-2-4(12(13)14)11-7(17(10,15)16)5(3)6(8)9/h2,6H,1H3,(H2,10,15,16).
What are the key properties of 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide?
3-(difluoromethyl)-4-methyl-6-nitropyridine-2-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 3-(difluoromethyl)-4-methyl-6-nitropyridine-2-sulfonamide is sourced from PubChem (CID 133098938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).