2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

C14H18Cl2N2O4S — CID 2928994

IUPAC2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18(13-7-10(15)4-5-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyVOWLXGUSZZCWIJ-UHFFFAOYSA-N
MW381.28 g/mol
LogP2.05
Rot. Bonds6

About 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2928994) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2928994
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Name2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18(13-7-10(15)4-5-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19)
InChIKeyVOWLXGUSZZCWIJ-UHFFFAOYSA-N
XLogP2.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 2928994) is 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VOWLXGUSZZCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-23(20,21)18(13-7-10(15)4-5-12(13)16)9-14(19)17-8-11-3-2-6-22-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 381.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2928994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).