N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

C15H20FNO5S2 — CID 7937701

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S1(=O)CC[C@@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO5S2/c16-12-3-5-15(6-4-12)24(20,21)17(10-14-2-1-8-22-14)13-7-9-23(18,19)11-13/h3-6,13-14H,1-2,7-11H2/t13-,14+/m1/s1
InChIKeyUYAFAUMLEHOIJZ-KGLIPLIRSA-N
MW377.46 g/mol
LogP1.18
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 7937701) has the molecular formula C15H20FNO5S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID7937701
Molecular FormulaC15H20FNO5S2
Molecular Weight377.46 g/mol
Exact Mass377.08
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S1(=O)CC[C@@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FNO5S2/c16-12-3-5-15(6-4-12)24(20,21)17(10-14-2-1-8-22-14)13-7-9-23(18,19)11-13/h3-6,13-14H,1-2,7-11H2/t13-,14+/m1/s1
InChIKeyUYAFAUMLEHOIJZ-KGLIPLIRSA-N
XLogP1.18
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 129365745
(3S,4R)-4-(4-fluorophenyl)sulfonyl-1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine
CID 20897868
N-(2-cyanoethyl)-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3688485
N-(2-cyanoethyl)-3-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3688486
N-(2-cyanoethyl)-4-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3716712
N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 7937703
3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 7937708
3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 7937709
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-difluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8321232
N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-difluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8321234
N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8321237
N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8321238

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 7937701) is N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is O=S1(=O)CC[C@@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is UYAFAUMLEHOIJZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H20FNO5S2/c16-12-3-5-15(6-4-12)24(20,21)17(10-14-2-1-8-22-14)13-7-9-23(18,19)11-13/h3-6,13-14H,1-2,7-11H2/t13-,14+/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 377.46 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 7937701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).