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

C14H19ClN2O5S2 — CID 24816998

IUPAC2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O5S2/c1-2-17(24(21,22)13-6-4-3-5-12(13)15)9-14(18)16-11-7-8-23(19,20)10-11/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyHNRQHDZFOFVQQL-UHFFFAOYSA-N
MW394.90 g/mol
LogP0.65
Rot. Bonds6

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

2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 24816998) has the molecular formula C14H19ClN2O5S2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID24816998
Molecular FormulaC14H19ClN2O5S2
Molecular Weight394.90 g/mol
Exact Mass394.04
IUPAC Name2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O5S2/c1-2-17(24(21,22)13-6-4-3-5-12(13)15)9-14(18)16-11-7-8-23(19,20)10-11/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyHNRQHDZFOFVQQL-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-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
1-(4-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 2998565
Methyl 2-[(2-{[(4-chlorophenyl)sulfonyl]amino}acetyl)amino]-4-(methylsulfanyl)butanoate
CID 3829091
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4832592
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 16291440
2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4029352
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 4830029
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 16312810
N~2~-[(4-chlorophenyl)sulfonyl]-N-cyclopropyl-N~2~-methylglycinamide
CID 1331562
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 7509947
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24686962
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide
CID 24818384

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 24816998) is 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is HNRQHDZFOFVQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S2/c1-2-17(24(21,22)13-6-4-3-5-12(13)15)9-14(18)16-11-7-8-23(19,20)10-11/h3-6,11H,2,7-10H2,1H3,(H,16,18).
What are the key properties of 2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[(2-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-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 24816998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).