2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide

C16H18FNO2S — CID 143195069

IUPAC2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)14-6-4-5-7-15(14)21(19,20)18-13-10-8-12(17)9-11-13/h4-11,18H,1-3H3
InChIKeyKQBYLGNATONAJX-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.92
Rot. Bonds3

About 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide

2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 143195069) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID143195069
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
SMILESCC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H18FNO2S/c1-16(2,3)14-6-4-5-7-15(14)21(19,20)18-13-10-8-12(17)9-11-13/h4-11,18H,1-3H3
InChIKeyKQBYLGNATONAJX-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide (CID 143195069) is 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide is CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is KQBYLGNATONAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-16(2,3)14-6-4-5-7-15(14)21(19,20)18-13-10-8-12(17)9-11-13/h4-11,18H,1-3H3.
What are the key properties of 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide?
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 143195069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).