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

C15H19ClFNO5S2 — CID 7937709

IUPAC3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H19ClFNO5S2/c16-14-8-13(3-4-15(14)17)25(21,22)18(9-12-2-1-6-23-12)11-5-7-24(19,20)10-11/h3-4,8,11-12H,1-2,5-7,9-10H2/t11-,12-/m1/s1
InChIKeyCQAIUVCQPJZXRW-VXGBXAGGSA-N
MW411.90 g/mol
LogP1.84
Rot. Bonds5

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

3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 7937709) has the molecular formula C15H19ClFNO5S2 and a molecular weight of 411.90 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID7937709
Molecular FormulaC15H19ClFNO5S2
Molecular Weight411.90 g/mol
Exact Mass411.04
IUPAC Name3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H19ClFNO5S2/c16-14-8-13(3-4-15(14)17)25(21,22)18(9-12-2-1-6-23-12)11-5-7-24(19,20)10-11/h3-4,8,11-12H,1-2,5-7,9-10H2/t11-,12-/m1/s1
InChIKeyCQAIUVCQPJZXRW-VXGBXAGGSA-N
XLogP1.84
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.90
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 7937709) is 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is O=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is CQAIUVCQPJZXRW-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H19ClFNO5S2/c16-14-8-13(3-4-15(14)17)25(21,22)18(9-12-2-1-6-23-12)11-5-7-24(19,20)10-11/h3-4,8,11-12H,1-2,5-7,9-10H2/t11-,12-/m1/s1.
What are the key properties of 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 411.90 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 7937709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).