N-tert-butyl-4-fluorobenzenesulfonamide

C10H14FNO2S — CID 669058

IUPACN-tert-butyl-4-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-10(2,3)12-15(13,14)9-6-4-8(11)5-7-9/h4-7,12H,1-3H3
InChIKeyPINZDTQLMQWFOP-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.90
Rot. Bonds2

About N-tert-butyl-4-fluorobenzenesulfonamide

N-tert-butyl-4-fluorobenzenesulfonamide (PubChem CID 669058) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is N-tert-butyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-fluorobenzenesulfonamide
PubChem CID669058
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC NameN-tert-butyl-4-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO2S/c1-10(2,3)12-15(13,14)9-6-4-8(11)5-7-9/h4-7,12H,1-3H3
InChIKeyPINZDTQLMQWFOP-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-4-fluorobenzenesulfonamide (CID 669058) is N-tert-butyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-4-fluorobenzenesulfonamide?
The InChIKey is PINZDTQLMQWFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-10(2,3)12-15(13,14)9-6-4-8(11)5-7-9/h4-7,12H,1-3H3.
What are the key properties of N-tert-butyl-4-fluorobenzenesulfonamide?
N-tert-butyl-4-fluorobenzenesulfonamide has a molecular weight of 231.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 669058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).