2-[benzenesulfonyl(benzyl)amino]acetyl chloride

C15H14ClNO3S — CID 50894500

IUPAC2-[benzenesulfonyl(benzyl)amino]acetyl chloride
SMILESO=C(Cl)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO3S/c16-15(18)12-17(11-13-7-3-1-4-8-13)21(19,20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyCOQMFPOVJCLFIO-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.64
Rot. Bonds6

About 2-[benzenesulfonyl(benzyl)amino]acetyl chloride

2-[benzenesulfonyl(benzyl)amino]acetyl chloride (PubChem CID 50894500) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]acetyl chloride
PubChem CID50894500
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-[benzenesulfonyl(benzyl)amino]acetyl chloride
SMILESO=C(Cl)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14ClNO3S/c16-15(18)12-17(11-13-7-3-1-4-8-13)21(19,20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyCOQMFPOVJCLFIO-UHFFFAOYSA-N
XLogP2.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
(2-amino-2-oxoethyl) 2-[benzenesulfonyl(benzyl)amino]acetate
CID 7681594
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852
N-benzyl-N-ethylbenzenesulfonamide
CID 668950

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]acetyl chloride?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]acetyl chloride (CID 50894500) is 2-[benzenesulfonyl(benzyl)amino]acetyl chloride.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]acetyl chloride?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]acetyl chloride is O=C(Cl)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]acetyl chloride?
The InChIKey is COQMFPOVJCLFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-15(18)12-17(11-13-7-3-1-4-8-13)21(19,20)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]acetyl chloride?
2-[benzenesulfonyl(benzyl)amino]acetyl chloride has a molecular weight of 323.80 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]acetyl chloride is sourced from PubChem (CID 50894500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).