4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene

C17H23FN4O3S — CID 142901410

IUPAC4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene
SMILESC=C(CC)c1nc(=O)[nH]n1-c1ccc(S(N)(=O)=O)cc1.CC/C=C(\C)F
InChIInChI=1S/C12H14N4O3S.C5H9F/c1-3-8(2)11-14-12(17)15-16(11)9-4-6-10(7-5-9)20(13,18)19;1-3-4-5(2)6/h4-7H,2-3H2,1H3,(H,15,17)(H2,13,18,19);4H,3H2,1-2H3/b;5-4+
InChIKeyULGZUKJJICVBDJ-RCKHEGBHSA-N
MW382.46 g/mol
LogP2.90
Rot. Bonds5

About 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene

4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene (PubChem CID 142901410) has the molecular formula C17H23FN4O3S and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene.

Molecular Properties

Compound Name4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene
PubChem CID142901410
Molecular FormulaC17H23FN4O3S
Molecular Weight382.46 g/mol
Exact Mass382.15
IUPAC Name4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene
SMILESC=C(CC)c1nc(=O)[nH]n1-c1ccc(S(N)(=O)=O)cc1.CC/C=C(\C)F
InChIInChI=1S/C12H14N4O3S.C5H9F/c1-3-8(2)11-14-12(17)15-16(11)9-4-6-10(7-5-9)20(13,18)19;1-3-4-5(2)6/h4-7H,2-3H2,1H3,(H,15,17)(H2,13,18,19);4H,3H2,1-2H3/b;5-4+
InChIKeyULGZUKJJICVBDJ-RCKHEGBHSA-N
XLogP2.90
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene?
The IUPAC name of 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene (CID 142901410) is 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene.
What is the SMILES notation for 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene?
The canonical SMILES for 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene is C=C(CC)c1nc(=O)[nH]n1-c1ccc(S(N)(=O)=O)cc1.CC/C=C(\C)F.
What is the InChIKey of 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene?
The InChIKey is ULGZUKJJICVBDJ-RCKHEGBHSA-N. The full InChI is InChI=1S/C12H14N4O3S.C5H9F/c1-3-8(2)11-14-12(17)15-16(11)9-4-6-10(7-5-9)20(13,18)19;1-3-4-5(2)6/h4-7H,2-3H2,1H3,(H,15,17)(H2,13,18,19);4H,3H2,1-2H3/b;5-4+.
What are the key properties of 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene?
4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene has a molecular weight of 382.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide;(E)-2-fluoropent-2-ene is sourced from PubChem (CID 142901410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).