4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide

C10H13FN2O4S — CID 107326378

IUPAC4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide
SMILESCc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C10H13FN2O4S/c1-6-5-8(11)9(13(14)15)7(2)10(6)18(16,17)12(3)4/h5H,1-4H3
InChIKeyOEXGDZVACLUAFK-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.60
Rot. Bonds3

About 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide

4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide (PubChem CID 107326378) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide
PubChem CID107326378
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide
SMILESCc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C10H13FN2O4S/c1-6-5-8(11)9(13(14)15)7(2)10(6)18(16,17)12(3)4/h5H,1-4H3
InChIKeyOEXGDZVACLUAFK-UHFFFAOYSA-N
XLogP1.60
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N,N,2-trimethyl-5-nitrobenzenesulfonamide
CID 2921148
2-Methyl-5-nitrobenzene-1-sulfonamide
CID 234282
Benzenesulfonamide, N,N,4-trimethyl-3-nitro-
CID 66778
1-[(2-Methyl-5-nitrobenzene)sulfonyl]pyrrolidine
CID 2956114
N-(difluoromethyl)-2-methyl-N-(2-methylphenyl)-5-nitrobenzenesulfonamide
CID 2927073
2,4-Dimethyl-5-nitrobenzenesulfonyl fluoride
CID 5082100
2-ethyl-N,N-dimethyl-5-nitrobenzene-1-sulfonamide
CID 9834936
2,4-Dimethyl-3-nitrobenzene-1-sulfonyl chloride
CID 18959821
2-methyl-5-nitro-N,N-dipropylbenzenesulfonamide
CID 2898714
Benzenesulfonamide, N-(4-fluorophenyl)-2-methyl-5-nitro-
CID 2796540
1-((2,4,6-Trimethyl-3-nitrophenyl)sulfonyl)piperidine
CID 2849274
2,4,6-Trimethyl-3-nitrobenzene-1-sulfonyl chloride
CID 14919141

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide?
The IUPAC name of 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide (CID 107326378) is 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide is Cc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide?
The InChIKey is OEXGDZVACLUAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-6-5-8(11)9(13(14)15)7(2)10(6)18(16,17)12(3)4/h5H,1-4H3.
What are the key properties of 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide?
4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide has a molecular weight of 276.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N,2,6-tetramethyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 107326378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).