N-benzyl-2-chloro-N-methylsulfonylacetamide

C10H12ClNO3S — CID 83381162

IUPACN-benzyl-2-chloro-N-methylsulfonylacetamide
SMILESCS(=O)(=O)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C10H12ClNO3S/c1-16(14,15)12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyFBYBSTZXRIKCFF-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.21
Rot. Bonds4

About N-benzyl-2-chloro-N-methylsulfonylacetamide

N-benzyl-2-chloro-N-methylsulfonylacetamide (PubChem CID 83381162) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-methylsulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-methylsulfonylacetamide
PubChem CID83381162
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC NameN-benzyl-2-chloro-N-methylsulfonylacetamide
SMILESCS(=O)(=O)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C10H12ClNO3S/c1-16(14,15)12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyFBYBSTZXRIKCFF-UHFFFAOYSA-N
XLogP1.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-methyl-N-methylsulfonylpropanamide
CID 124927817
2-chloro-N-methyl-N-[(4-phenylphenyl)methyl]acetamide
CID 166403235
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
ethyl N-[2-[benzyl(methylsulfonyl)amino]ethyl]carbamate
CID 113066591
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
N-benzyl-N-[(1E)-1-chloro-4-methyl-2-phenylpenta-1,4-dienyl]methanesulfonamide
CID 56648636
N-benzyl-3-[methylsulfonyl(propyl)amino]-N-propan-2-ylpropanamide
CID 113135924
methyl 2-[benzyl-(2-chloroacetyl)amino]-3-chloropropanoate
CID 10063590

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-methylsulfonylacetamide?
The IUPAC name of N-benzyl-2-chloro-N-methylsulfonylacetamide (CID 83381162) is N-benzyl-2-chloro-N-methylsulfonylacetamide.
What is the SMILES notation for N-benzyl-2-chloro-N-methylsulfonylacetamide?
The canonical SMILES for N-benzyl-2-chloro-N-methylsulfonylacetamide is CS(=O)(=O)N(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-benzyl-2-chloro-N-methylsulfonylacetamide?
The InChIKey is FBYBSTZXRIKCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-16(14,15)12(10(13)7-11)8-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of N-benzyl-2-chloro-N-methylsulfonylacetamide?
N-benzyl-2-chloro-N-methylsulfonylacetamide has a molecular weight of 261.73 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-methylsulfonylacetamide is sourced from PubChem (CID 83381162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).