4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide

C12H18FNO2S — CID 21492069

IUPAC4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)c(C(C)C)cc1F
InChIInChI=1S/C12H18FNO2S/c1-7(2)9-6-12(17(14,15)16)10(8(3)4)5-11(9)13/h5-8H,1-4H3,(H2,14,15,16)
InChIKeyXFSSYSANTJWBNS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.72
Rot. Bonds3

About 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide

4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide (PubChem CID 21492069) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide
PubChem CID21492069
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)c(C(C)C)cc1F
InChIInChI=1S/C12H18FNO2S/c1-7(2)9-6-12(17(14,15)16)10(8(3)4)5-11(9)13/h5-8H,1-4H3,(H2,14,15,16)
InChIKeyXFSSYSANTJWBNS-UHFFFAOYSA-N
XLogP2.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide (CID 21492069) is 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide is CC(C)c1cc(S(N)(=O)=O)c(C(C)C)cc1F.
What is the InChIKey of 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide?
The InChIKey is XFSSYSANTJWBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-7(2)9-6-12(17(14,15)16)10(8(3)4)5-11(9)13/h5-8H,1-4H3,(H2,14,15,16).
What are the key properties of 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide?
4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,5-di(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21492069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).