1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride

C19H18ClNO6S2 — CID 135201311

IUPAC1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(S(=O)(=O)c2ccccc2)c2cc(OCC3CCCO3)ccc12
InChIInChI=1S/C19H18ClNO6S2/c20-28(22,23)19-12-21(29(24,25)16-6-2-1-3-7-16)18-11-14(8-9-17(18)19)27-13-15-5-4-10-26-15/h1-3,6-9,11-12,15H,4-5,10,13H2
InChIKeyGPOZUVANNLBJRP-UHFFFAOYSA-N
MW455.94 g/mol
LogP3.36
Rot. Bonds6

About 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride

1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride (PubChem CID 135201311) has the molecular formula C19H18ClNO6S2 and a molecular weight of 455.94 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride
PubChem CID135201311
Molecular FormulaC19H18ClNO6S2
Molecular Weight455.94 g/mol
Exact Mass455.03
IUPAC Name1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cn(S(=O)(=O)c2ccccc2)c2cc(OCC3CCCO3)ccc12
InChIInChI=1S/C19H18ClNO6S2/c20-28(22,23)19-12-21(29(24,25)16-6-2-1-3-7-16)18-11-14(8-9-17(18)19)27-13-15-5-4-10-26-15/h1-3,6-9,11-12,15H,4-5,10,13H2
InChIKeyGPOZUVANNLBJRP-UHFFFAOYSA-N
XLogP3.36
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 9333066
3,5-dimethyl-4-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
CID 60725349
2-(oxolan-2-ylmethoxy)-9H-carbazole
CID 156775567
1-(benzenesulfonyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]piperidine-2-carboxamide
CID 43056004
5-bromo-3-methyl-2-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
CID 63217137
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
5-methyl-2-(oxan-2-ylmethoxy)benzenesulfonyl chloride
CID 43591843
2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 41444589
4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride?
The IUPAC name of 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride (CID 135201311) is 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride.
What is the SMILES notation for 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride?
The canonical SMILES for 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride is O=S(=O)(Cl)c1cn(S(=O)(=O)c2ccccc2)c2cc(OCC3CCCO3)ccc12.
What is the InChIKey of 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride?
The InChIKey is GPOZUVANNLBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO6S2/c20-28(22,23)19-12-21(29(24,25)16-6-2-1-3-7-16)18-11-14(8-9-17(18)19)27-13-15-5-4-10-26-15/h1-3,6-9,11-12,15H,4-5,10,13H2.
What are the key properties of 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride?
1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride has a molecular weight of 455.94 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-(oxolan-2-ylmethoxy)indole-3-sulfonyl chloride is sourced from PubChem (CID 135201311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).