2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride

C10H10FNO3S — CID 116814119

IUPAC2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride
SMILESC/C=C/C(=O)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C10H10FNO3S/c1-2-5-10(13)12-8-6-3-4-7-9(8)16(11,14)15/h2-7H,1H3,(H,12,13)/b5-2+
InChIKeySRMSTPFTYXTABV-GORDUTHDSA-N
MW243.26 g/mol
LogP1.86
Rot. Bonds3

About 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride

2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride (PubChem CID 116814119) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride
PubChem CID116814119
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Name2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride
SMILESC/C=C/C(=O)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C10H10FNO3S/c1-2-5-10(13)12-8-6-3-4-7-9(8)16(11,14)15/h2-7H,1H3,(H,12,13)/b5-2+
InChIKeySRMSTPFTYXTABV-GORDUTHDSA-N
XLogP1.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]but-2-enamide
CID 78906718
4-oxo-4-(2-sulfoanilino)but-2-enoic acid
CID 54030607
(E)-4-(2-ethylsulfonylanilino)-4-oxobut-2-enoic acid
CID 54868479
(E)-N-(2-benzoylphenyl)but-2-enamide
CID 20555207
(Z)-N-phenylbut-2-enamide
CID 59909226
(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 60549459
2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride
CID 116814067
2-[(2-hydroxy-4-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116813960
(E)-N-[2-(1,3-oxazol-2-yl)phenyl]but-2-enamide
CID 14321974
2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride
CID 116814199
2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
CID 116814222
(E)-N-[2-(aminomethyl)-3-fluorophenyl]but-2-enamide
CID 82507552

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride (CID 116814119) is 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride is C/C=C/C(=O)Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride?
The InChIKey is SRMSTPFTYXTABV-GORDUTHDSA-N. The full InChI is InChI=1S/C10H10FNO3S/c1-2-5-10(13)12-8-6-3-4-7-9(8)16(11,14)15/h2-7H,1H3,(H,12,13)/b5-2+.
What are the key properties of 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride?
2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride has a molecular weight of 243.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).