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

C12H16FNO5S2 — CID 129365745

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S1(=O)CC[C@H](N(CCO)S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO5S2/c13-10-1-3-12(4-2-10)21(18,19)14(6-7-15)11-5-8-20(16,17)9-11/h1-4,11,15H,5-9H2/t11-/m0/s1
InChIKeyUXSPKUOPEPZZLO-NSHDSACASA-N
MW337.39 g/mol
LogP-0.00
Rot. Bonds5

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

N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 129365745) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID129365745
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S1(=O)CC[C@H](N(CCO)S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C12H16FNO5S2/c13-10-1-3-12(4-2-10)21(18,19)14(6-7-15)11-5-8-20(16,17)9-11/h1-4,11,15H,5-9H2/t11-/m0/s1
InChIKeyUXSPKUOPEPZZLO-NSHDSACASA-N
XLogP-0.00
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide
CID 18083639
Ethanol, 2-(cyclohexyl)(4-fluorophenylsulfonyl)amino-
CID 604862
Tris-(2-hydroxyethyl)ammonium 4-fluorophenylsulfonylacetate
CID 128124
N-butyl(p-fluorophenylsulfonyl)[(S)-1,1-dioxo-1lambda-tetrahydro-3H-thien-3-yl]amine
CID 7260324
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylbenzenesulfonamide
CID 18573649
N-[(2S)-2,3-dihydroxypropyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluorobenzenesulfonamide
CID 129515778
3-{[(4-Fluorophenyl)sulfonyl]methylamino}thiolane-1,1-dione
CID 2892608
3-[Butyl(phenylsulfonyl)amino]-1-hydroxythiolan-1-one
CID 2905982
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 2978764
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-fluorobenzenesulfonamide
CID 3827732
N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluoro-N-isobutylbenzenesulfonamide
CID 16822499
3-[(4-Fluorophenyl)sulfonyl]-4-[(2-methoxyethyl)amino]tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 20897865

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 129365745) is N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S1(=O)CC[C@H](N(CCO)S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is UXSPKUOPEPZZLO-NSHDSACASA-N. The full InChI is InChI=1S/C12H16FNO5S2/c13-10-1-3-12(4-2-10)21(18,19)14(6-7-15)11-5-8-20(16,17)9-11/h1-4,11,15H,5-9H2/t11-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 337.39 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 129365745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).