2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride

C13H12ClNO4S — CID 50894746

IUPAC2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
SMILESO=C(Cl)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12ClNO4S/c14-13(16)10-15(9-11-5-4-8-19-11)20(17,18)12-6-2-1-3-7-12/h1-8H,9-10H2
InChIKeyBPSPKVMJHAMXKK-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.24
Rot. Bonds6

About 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride

2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride (PubChem CID 50894746) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
PubChem CID50894746
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
SMILESO=C(Cl)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H12ClNO4S/c14-13(16)10-15(9-11-5-4-8-19-11)20(17,18)12-6-2-1-3-7-12/h1-8H,9-10H2
InChIKeyBPSPKVMJHAMXKK-UHFFFAOYSA-N
XLogP2.24
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9113169
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
2-[furan-2-ylmethyl-(3-nitrophenyl)sulfonylamino]acetic acid
CID 50894682
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 4883752
4-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]butanoic acid
CID 50894510
2-[furan-2-ylmethyl-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide
CID 3202218
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 17457343

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride?
The IUPAC name of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride (CID 50894746) is 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride.
What is the SMILES notation for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride?
The canonical SMILES for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride is O=C(Cl)CN(Cc1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride?
The InChIKey is BPSPKVMJHAMXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c14-13(16)10-15(9-11-5-4-8-19-11)20(17,18)12-6-2-1-3-7-12/h1-8H,9-10H2.
What are the key properties of 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride?
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride has a molecular weight of 313.76 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride is sourced from PubChem (CID 50894746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).