2-[benzyl(methylsulfonyl)amino]acetyl chloride

C10H12ClNO3S — CID 50894323

IUPAC2-[benzyl(methylsulfonyl)amino]acetyl chloride
SMILESCS(=O)(=O)N(CC(=O)Cl)Cc1ccccc1
InChIInChI=1S/C10H12ClNO3S/c1-16(14,15)12(8-10(11)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyLXFWDFYMNWXWBK-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.21
Rot. Bonds5

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

2-[benzyl(methylsulfonyl)amino]acetyl chloride (PubChem CID 50894323) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]acetyl chloride.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]acetyl chloride
PubChem CID50894323
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name2-[benzyl(methylsulfonyl)amino]acetyl chloride
SMILESCS(=O)(=O)N(CC(=O)Cl)Cc1ccccc1
InChIInChI=1S/C10H12ClNO3S/c1-16(14,15)12(8-10(11)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyLXFWDFYMNWXWBK-UHFFFAOYSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.21
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-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
2-[[3-[[carboxymethyl(methylsulfonyl)amino]methyl]phenyl]methyl-methylsulfonylamino]acetic acid
CID 24761777
2-[benzyl(methylsulfonyl)amino]-N-(4-iodophenyl)acetamide
CID 1315450
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
2-[benzyl(methylsulfonyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113150464
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
N-(3-acetamidophenyl)-2-[benzyl(methylsulfonyl)amino]acetamide
CID 42560660
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]acetyl chloride?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]acetyl chloride (CID 50894323) is 2-[benzyl(methylsulfonyl)amino]acetyl chloride.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]acetyl chloride?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]acetyl chloride is CS(=O)(=O)N(CC(=O)Cl)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]acetyl chloride?
The InChIKey is LXFWDFYMNWXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-16(14,15)12(8-10(11)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-[benzyl(methylsulfonyl)amino]acetyl chloride?
2-[benzyl(methylsulfonyl)amino]acetyl chloride has a molecular weight of 261.73 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]acetyl chloride is sourced from PubChem (CID 50894323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).