2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride

C13H11Cl2NO4S — CID 50894442

IUPAC2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
SMILESO=C(Cl)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NO4S/c14-10-3-5-12(6-4-10)21(18,19)16(9-13(15)17)8-11-2-1-7-20-11/h1-7H,8-9H2
InChIKeyVDVAZSOLRLLWOC-UHFFFAOYSA-N
MW348.21 g/mol
LogP2.89
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride

2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride (PubChem CID 50894442) has the molecular formula C13H11Cl2NO4S and a molecular weight of 348.21 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
PubChem CID50894442
Molecular FormulaC13H11Cl2NO4S
Molecular Weight348.21 g/mol
Exact Mass346.98
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
SMILESO=C(Cl)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NO4S/c14-10-3-5-12(6-4-10)21(18,19)16(9-13(15)17)8-11-2-1-7-20-11/h1-7H,8-9H2
InChIKeyVDVAZSOLRLLWOC-UHFFFAOYSA-N
XLogP2.89
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 52.89
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-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 50894441
4-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]butanoic acid
CID 50894510
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetic acid
CID 716043
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084748
4-chloro-N-(furan-2-ylmethyl)-N-[(2S)-5-hydroxy-2-methylpentyl]benzenesulfonamide
CID 69466339
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3938359
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1315730
N-(3-chlorophenyl)-2-[furan-2-ylmethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 2459887
methyl 2-[(4-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetate
CID 50894270

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride (CID 50894442) is 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride is O=C(Cl)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride?
The InChIKey is VDVAZSOLRLLWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4S/c14-10-3-5-12(6-4-10)21(18,19)16(9-13(15)17)8-11-2-1-7-20-11/h1-7H,8-9H2.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride?
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride has a molecular weight of 348.21 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride is sourced from PubChem (CID 50894442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).