2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C14H19ClN2O5S2 — CID 24982525

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)NC1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O5S2/c1-14(7-8-23(19,20)10-14)16-13(18)9-17(2)24(21,22)12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyGIYMEEAEDLJNEU-UHFFFAOYSA-N
MW394.90 g/mol
LogP0.65
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 24982525) has the molecular formula C14H19ClN2O5S2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID24982525
Molecular FormulaC14H19ClN2O5S2
Molecular Weight394.90 g/mol
Exact Mass394.04
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCN(CC(=O)NC1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O5S2/c1-14(7-8-23(19,20)10-14)16-13(18)9-17(2)24(21,22)12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyGIYMEEAEDLJNEU-UHFFFAOYSA-N
XLogP0.65
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 24982525) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CN(CC(=O)NC1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is GIYMEEAEDLJNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S2/c1-14(7-8-23(19,20)10-14)16-13(18)9-17(2)24(21,22)12-5-3-11(15)4-6-12/h3-6H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 394.90 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 24982525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).