2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide

C10H11ClN2O4S — CID 43328952

IUPAC2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)NC(=O)CCl)cc1
InChIInChI=1S/C10H11ClN2O4S/c1-18(16,17)8-4-2-7(3-5-8)12-10(15)13-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyXUFWIHIOQMRJOB-UHFFFAOYSA-N
MW290.73 g/mol
LogP0.98
Rot. Bonds3

About 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide

2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide (PubChem CID 43328952) has the molecular formula C10H11ClN2O4S and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide
PubChem CID43328952
Molecular FormulaC10H11ClN2O4S
Molecular Weight290.73 g/mol
Exact Mass290.01
IUPAC Name2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)NC(=O)CCl)cc1
InChIInChI=1S/C10H11ClN2O4S/c1-18(16,17)8-4-2-7(3-5-8)12-10(15)13-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyXUFWIHIOQMRJOB-UHFFFAOYSA-N
XLogP0.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]propanamide
CID 43146371
N-[(4-bromophenyl)carbamoyl]-2-chloroacetamide
CID 4962265
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
2-chloro-N-[(4-ethoxyphenyl)carbamoyl]acetamide
CID 12585306
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998
N-[4-(chloromethyl)phenyl]-4-methylsulfonylbenzamide
CID 114299897
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 43320120
3-amino-3-methyl-N-(4-methylsulfonylphenyl)butanamide
CID 64683356
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide (CID 43328952) is 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide is CS(=O)(=O)c1ccc(NC(=O)NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide?
The InChIKey is XUFWIHIOQMRJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4S/c1-18(16,17)8-4-2-7(3-5-8)12-10(15)13-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide?
2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide has a molecular weight of 290.73 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylsulfonylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 43328952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).