2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide

C13H20N2O4S2 — CID 43454539

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O4S2/c1-2-8-14-21(18,19)13-6-4-3-5-12(13)15-11-7-9-20(16,17)10-11/h3-6,11,14-15H,2,7-10H2,1H3
InChIKeyOFIQKJKYPYDHOK-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.97
Rot. Bonds6

About 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide

2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide (PubChem CID 43454539) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
PubChem CID43454539
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NC1CCS(=O)(=O)C1
InChIInChI=1S/C13H20N2O4S2/c1-2-8-14-21(18,19)13-6-4-3-5-12(13)15-11-7-9-20(16,17)10-11/h3-6,11,14-15H,2,7-10H2,1H3
InChIKeyOFIQKJKYPYDHOK-UHFFFAOYSA-N
XLogP0.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
CID 43615439
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
CID 62162999
2-[(3-methylcyclohexyl)amino]-N-propylbenzenesulfonamide
CID 43454559
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
CID 43454796
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-propylbenzenesulfonamide
CID 80715326
N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303063

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide (CID 43454539) is 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide?
The InChIKey is OFIQKJKYPYDHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-2-8-14-21(18,19)13-6-4-3-5-12(13)15-11-7-9-20(16,17)10-11/h3-6,11,14-15H,2,7-10H2,1H3.
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide?
2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 43454539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).