[(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate

C16H18ClNO7S — CID 8645553

IUPAC[(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESO=C(O[C@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C16H18ClNO7S/c17-12-4-3-10(15(19)25-13-5-7-24-16(13)20)8-14(12)26(21,22)18-9-11-2-1-6-23-11/h3-4,8,11,13,18H,1-2,5-7,9H2/t11-,13+/m1/s1
InChIKeyUCZWSJKKPHSJAT-YPMHNXCESA-N
MW403.84 g/mol
LogP1.27
Rot. Bonds6

About [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate

[(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate (PubChem CID 8645553) has the molecular formula C16H18ClNO7S and a molecular weight of 403.84 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
PubChem CID8645553
Molecular FormulaC16H18ClNO7S
Molecular Weight403.84 g/mol
Exact Mass403.05
IUPAC Name[(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESO=C(O[C@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1
InChIInChI=1S/C16H18ClNO7S/c17-12-4-3-10(15(19)25-13-5-7-24-16(13)20)8-14(12)26(21,22)18-9-11-2-1-6-23-11/h3-4,8,11,13,18H,1-2,5-7,9H2/t11-,13+/m1/s1
InChIKeyUCZWSJKKPHSJAT-YPMHNXCESA-N
XLogP1.27
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.84
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate with MolForge

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Related Compounds

4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55366048
[(3S)-2-oxooxolan-3-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2120682
2-(1,3-dioxoisoindol-2-yl)ethyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42915582
methyl 3-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812444
methyl 3-chloro-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812443
3-(4-fluorophenoxy)propyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43022228
(7-chloro-1,3-benzodioxol-5-yl)methyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55476140
[1-(azepan-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55422049
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
[2-(4-ethylanilino)-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42979910
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55485533

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate (CID 8645553) is [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate is O=C(O[C@H]1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The InChIKey is UCZWSJKKPHSJAT-YPMHNXCESA-N. The full InChI is InChI=1S/C16H18ClNO7S/c17-12-4-3-10(15(19)25-13-5-7-24-16(13)20)8-14(12)26(21,22)18-9-11-2-1-6-23-11/h3-4,8,11,13,18H,1-2,5-7,9H2/t11-,13+/m1/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
[(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate has a molecular weight of 403.84 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate is sourced from PubChem (CID 8645553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).