N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide

C12H14ClNO5S — CID 11884365

IUPACN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO5S/c13-7-1-3-8(4-2-7)20(16,17)14-9-5-18-12-10(15)6-19-11(9)12/h1-4,9-12,14-15H,5-6H2/t9-,10+,11+,12+/m0/s1
InChIKeyUZZVVWPJWBLZEV-IRCOFANPSA-N
MW319.77 g/mol
LogP0.15
Rot. Bonds3

About N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide (PubChem CID 11884365) has the molecular formula C12H14ClNO5S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide
PubChem CID11884365
Molecular FormulaC12H14ClNO5S
Molecular Weight319.77 g/mol
Exact Mass319.03
IUPAC NameN-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide
SMILESO=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO5S/c13-7-1-3-8(4-2-7)20(16,17)14-9-5-18-12-10(15)6-19-11(9)12/h1-4,9-12,14-15H,5-6H2/t9-,10+,11+,12+/m0/s1
InChIKeyUZZVVWPJWBLZEV-IRCOFANPSA-N
XLogP0.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide with MolForge

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Related Compounds

2-[[(3S,3aR,6R,6aS)-3-[(4-chlorophenyl)sulfonylamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]acetamide
CID 11883294
4-chloro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]benzenesulfonamide
CID 28961374
4-chloro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]benzenesulfonamide
CID 28961815
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
CID 54640002
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
CID 54640003
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
CID 54640004
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
CID 54640005
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
CID 54640006
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
CID 54640007
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
CID 54640008
3-chloro-5-fluoro-N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]benzenesulfonamide
CID 137989071
4-fluoro-N-[(3R,3aR,6R,6aR)-6-hydroxyhexahydrofuro[3,2-b]furan-3-yl]benzenesulfonamide fomate
CID 146039621

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide (CID 11884365) is N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide is O=S(=O)(N[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide?
The InChIKey is UZZVVWPJWBLZEV-IRCOFANPSA-N. The full InChI is InChI=1S/C12H14ClNO5S/c13-7-1-3-8(4-2-7)20(16,17)14-9-5-18-12-10(15)6-19-11(9)12/h1-4,9-12,14-15H,5-6H2/t9-,10+,11+,12+/m0/s1.
What are the key properties of N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide?
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide has a molecular weight of 319.77 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 11884365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).