4-fluoro-N-(2-methylpropyl)benzenesulfonamide

C10H14FNO2S — CID 668999

IUPAC4-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyXVXBTVORNAFQBR-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.76
Rot. Bonds4

About 4-fluoro-N-(2-methylpropyl)benzenesulfonamide

4-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 668999) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID668999
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name4-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyXVXBTVORNAFQBR-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 668999) is 4-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is XVXBTVORNAFQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-8(2)7-12-15(13,14)10-5-3-9(11)4-6-10/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methylpropyl)benzenesulfonamide?
4-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 231.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 668999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).