2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide

C14H19Cl2NO3S — CID 1486393

IUPAC2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H19Cl2NO3S/c1-9(2)17(10(3)4)14(18)8-21(19,20)11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyGCHLYYJUWDODGE-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.41
Rot. Bonds5

About 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide

2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide (PubChem CID 1486393) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide
PubChem CID1486393
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H19Cl2NO3S/c1-9(2)17(10(3)4)14(18)8-21(19,20)11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3
InChIKeyGCHLYYJUWDODGE-UHFFFAOYSA-N
XLogP3.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide (CID 1486393) is 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is GCHLYYJUWDODGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-9(2)17(10(3)4)14(18)8-21(19,20)11-5-6-12(15)13(16)7-11/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide?
2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 352.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)sulfonyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 1486393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).