3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide

C13H16ClNO5S2 — CID 110411790

IUPAC3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc(Cl)c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO5S2/c14-10-2-1-3-12(8-10)22(19,20)7-5-13(16)15-11-4-6-21(17,18)9-11/h1-3,8,11H,4-7,9H2,(H,15,16)
InChIKeyFBBILXSMKJANCC-UHFFFAOYSA-N
MW365.86 g/mol
LogP0.81
Rot. Bonds5

About 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide

3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 110411790) has the molecular formula C13H16ClNO5S2 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID110411790
Molecular FormulaC13H16ClNO5S2
Molecular Weight365.86 g/mol
Exact Mass365.02
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc(Cl)c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H16ClNO5S2/c14-10-2-1-3-12(8-10)22(19,20)7-5-13(16)15-11-4-6-21(17,18)9-11/h1-3,8,11H,4-7,9H2,(H,15,16)
InChIKeyFBBILXSMKJANCC-UHFFFAOYSA-N
XLogP0.81
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
2-[(3-chlorophenyl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51168866
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
1-[(3-chlorophenyl)methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 47133469
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803774
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
1-[2-(3-chlorophenyl)ethyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 110706175
3-(2,3-dichloroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026419
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18274802
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide (CID 110411790) is 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide is O=C(CCS(=O)(=O)c1cccc(Cl)c1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is FBBILXSMKJANCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S2/c14-10-2-1-3-12(8-10)22(19,20)7-5-13(16)15-11-4-6-21(17,18)9-11/h1-3,8,11H,4-7,9H2,(H,15,16).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide?
3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 365.86 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 110411790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).