4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide

C11H15FN2O4S — CID 107326405

IUPAC4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H15FN2O4S/c1-6(2)13-19(17,18)11-7(3)5-9(12)10(8(11)4)14(15)16/h5-6,13H,1-4H3
InChIKeyCOJWYMRMNSXIJT-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.04
Rot. Bonds4

About 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide

4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide (PubChem CID 107326405) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide
PubChem CID107326405
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C11H15FN2O4S/c1-6(2)13-19(17,18)11-7(3)5-9(12)10(8(11)4)14(15)16/h5-6,13H,1-4H3
InChIKeyCOJWYMRMNSXIJT-UHFFFAOYSA-N
XLogP2.04
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
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

4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethyl-3-nitrobenzenesulfonamide
CID 107856809
N-[(2R)-1-hydroxypropan-2-yl]-2,4,6-trimethyl-3-nitrobenzenesulfonamide
CID 104861889
4-fluoro-2,6-dimethyl-3-nitro-N-prop-2-ynylbenzenesulfonamide
CID 107326630
N-(3-aminopropyl)-4-fluoro-2,6-dimethyl-3-nitrobenzenesulfonamide
CID 107326980
4-fluoro-2,6-dimethyl-3-nitro-N-(oxetan-3-yl)benzenesulfonamide
CID 107327305
2,4,6-trimethyl-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 16805338
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
2,4-difluoro-5-nitro-N-propan-2-ylbenzenesulfonamide
CID 60660783
4-fluoro-N,2,6-trimethyl-3-nitro-N-prop-2-ynylbenzenesulfonamide
CID 107327357
1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one
CID 107326949
propan-2-yl 2,4,6-trimethyl-3-nitrobenzenesulfonate
CID 139246300
4-methyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 2836744

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide (CID 107326405) is 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide is Cc1cc(F)c([N+](=O)[O-])c(C)c1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide?
The InChIKey is COJWYMRMNSXIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-6(2)13-19(17,18)11-7(3)5-9(12)10(8(11)4)14(15)16/h5-6,13H,1-4H3.
What are the key properties of 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide?
4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 290.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-3-nitro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 107326405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).