2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide

C10H12ClNO3S — CID 2819413

IUPAC2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3S/c1-12(2)10(13)7-16(14,15)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3
InChIKeyPLHHIFJICVAEDE-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.20
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide

2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide (PubChem CID 2819413) has the molecular formula C10H12ClNO3S and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide
PubChem CID2819413
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73 g/mol
Exact Mass261.02
IUPAC Name2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO3S/c1-12(2)10(13)7-16(14,15)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3
InChIKeyPLHHIFJICVAEDE-UHFFFAOYSA-N
XLogP1.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide (CID 2819413) is 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide?
The InChIKey is PLHHIFJICVAEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S/c1-12(2)10(13)7-16(14,15)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide?
2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide has a molecular weight of 261.73 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 2819413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).