(E)-N-tert-butyl-2-fluoroethenesulfonamide

C6H12FNO2S — CID 130209117

IUPAC(E)-N-tert-butyl-2-fluoroethenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)/C=C/F
InChIInChI=1S/C6H12FNO2S/c1-6(2,3)8-11(9,10)5-4-7/h4-5,8H,1-3H3/b5-4+
InChIKeyYLQJQDNEVWPUJR-SNAWJCMRSA-N
MW181.23 g/mol
LogP1.14
Rot. Bonds2

About (E)-N-tert-butyl-2-fluoroethenesulfonamide

(E)-N-tert-butyl-2-fluoroethenesulfonamide (PubChem CID 130209117) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-fluoroethenesulfonamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-fluoroethenesulfonamide
PubChem CID130209117
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name(E)-N-tert-butyl-2-fluoroethenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)/C=C/F
InChIInChI=1S/C6H12FNO2S/c1-6(2,3)8-11(9,10)5-4-7/h4-5,8H,1-3H3/b5-4+
InChIKeyYLQJQDNEVWPUJR-SNAWJCMRSA-N
XLogP1.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-fluoroethenesulfonamide?
The IUPAC name of (E)-N-tert-butyl-2-fluoroethenesulfonamide (CID 130209117) is (E)-N-tert-butyl-2-fluoroethenesulfonamide.
What is the SMILES notation for (E)-N-tert-butyl-2-fluoroethenesulfonamide?
The canonical SMILES for (E)-N-tert-butyl-2-fluoroethenesulfonamide is CC(C)(C)NS(=O)(=O)/C=C/F.
What is the InChIKey of (E)-N-tert-butyl-2-fluoroethenesulfonamide?
The InChIKey is YLQJQDNEVWPUJR-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-6(2,3)8-11(9,10)5-4-7/h4-5,8H,1-3H3/b5-4+.
What are the key properties of (E)-N-tert-butyl-2-fluoroethenesulfonamide?
(E)-N-tert-butyl-2-fluoroethenesulfonamide has a molecular weight of 181.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-fluoroethenesulfonamide is sourced from PubChem (CID 130209117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).