4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide

C16H20N2O6S4 — CID 20897699

IUPAC4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H20N2O6S4/c17-28(23,24)13-5-3-12(4-6-13)7-8-18-14-10-26(19,20)11-15(14)27(21,22)16-2-1-9-25-16/h1-6,9,14-15,18H,7-8,10-11H2,(H2,17,23,24)/t14-,15-/m0/s1
InChIKeyGTBFQRSBCYCAQH-GJZGRUSLSA-N
MW464.61 g/mol
LogP0.17
Rot. Bonds7

About 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide

4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 20897699) has the molecular formula C16H20N2O6S4 and a molecular weight of 464.61 g/mol. Its IUPAC name is 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID20897699
Molecular FormulaC16H20N2O6S4
Molecular Weight464.61 g/mol
Exact Mass464.02
IUPAC Name4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H20N2O6S4/c17-28(23,24)13-5-3-12(4-6-13)7-8-18-14-10-26(19,20)11-15(14)27(21,22)16-2-1-9-25-16/h1-6,9,14-15,18H,7-8,10-11H2,(H2,17,23,24)/t14-,15-/m0/s1
InChIKeyGTBFQRSBCYCAQH-GJZGRUSLSA-N
XLogP0.17
TPSA140.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-amine
CID 20897700
(3R,4S)-N-(3-methylbutyl)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-amine
CID 124647866
ethyl 2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]acetate
CID 21005919
(3S,4R)-4-(4-fluorophenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine
CID 20897886
(3S,4R)-4-(4-methoxyphenyl)sulfonyl-1,1-dioxo-N-(2-phenylethyl)thiolan-3-amine
CID 20897937
(3S,4R)-N-[2-(4-fluorophenyl)ethyl]-4-(4-methoxyphenyl)sulfonyl-1,1-dioxothiolan-3-amine
CID 20897939
(3R,4S)-4-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 124655591
(3S,4R)-4-(4-ethoxyphenyl)sulfonyl-N-[2-(4-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 20898104
(3S,4R)-N-[2-(4-chlorophenyl)ethyl]-4-(4-ethoxyphenyl)sulfonyl-1,1-dioxothiolan-3-amine
CID 20996502
(3R,4S)-N-[2-(4-chlorophenyl)ethyl]-4-(4-ethoxyphenyl)sulfonyl-1,1-dioxothiolan-3-amine
CID 124657126
4-(4-ethylphenyl)sulfonyl-N-(2-methoxyethyl)-1,1-dioxothiolan-3-amine
CID 22695486
N-[(3R,4S)-4-(4-ethylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 96564929

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide (CID 20897699) is 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is GTBFQRSBCYCAQH-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H20N2O6S4/c17-28(23,24)13-5-3-12(4-6-13)7-8-18-14-10-26(19,20)11-15(14)27(21,22)16-2-1-9-25-16/h1-6,9,14-15,18H,7-8,10-11H2,(H2,17,23,24)/t14-,15-/m0/s1.
What are the key properties of 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 464.61 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 20897699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).