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

C14H19ClN2O5S2 — CID 18274802

IUPAC2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O5S2/c1-2-17(24(21,22)13-5-3-11(15)4-6-13)9-14(18)16-12-7-8-23(19,20)10-12/h3-6,12H,2,7-10H2,1H3,(H,16,18)
InChIKeyJUHXRBYFGUNOOR-UHFFFAOYSA-N
MW394.90 g/mol
LogP0.65
Rot. Bonds6

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

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 18274802) has the molecular formula C14H19ClN2O5S2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID18274802
Molecular FormulaC14H19ClN2O5S2
Molecular Weight394.90 g/mol
Exact Mass394.04
IUPAC Name2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O5S2/c1-2-17(24(21,22)13-5-3-11(15)4-6-13)9-14(18)16-12-7-8-23(19,20)10-12/h3-6,12H,2,7-10H2,1H3,(H,16,18)
InChIKeyJUHXRBYFGUNOOR-UHFFFAOYSA-N
XLogP0.65
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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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Related Compounds

2-[[4-[(2R)-butan-2-yl]phenyl]sulfonyl-ethylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 124772164
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 41144436
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42902865
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(4-chlorophenyl)carbamoyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51961751
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51171626
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373156
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9196797

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 18274802) is 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is JUHXRBYFGUNOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S2/c1-2-17(24(21,22)13-5-3-11(15)4-6-13)9-14(18)16-12-7-8-23(19,20)10-12/h3-6,12H,2,7-10H2,1H3,(H,16,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 394.90 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 18274802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).