N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide

C12H16FNO3S — CID 142025371

IUPACN-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide
SMILESCC(C)(C)N(C(=O)CF)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16FNO3S/c1-12(2,3)14(11(15)9-13)18(16,17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyOQHWPXRDONVDDY-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.97
Rot. Bonds3

About N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide

N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide (PubChem CID 142025371) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide
PubChem CID142025371
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide
SMILESCC(C)(C)N(C(=O)CF)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H16FNO3S/c1-12(2,3)14(11(15)9-13)18(16,17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyOQHWPXRDONVDDY-UHFFFAOYSA-N
XLogP1.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide?
The IUPAC name of N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide (CID 142025371) is N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide is CC(C)(C)N(C(=O)CF)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide?
The InChIKey is OQHWPXRDONVDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-12(2,3)14(11(15)9-13)18(16,17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide?
N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide has a molecular weight of 273.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-tert-butyl-2-fluoroacetamide is sourced from PubChem (CID 142025371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).