6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride

C12H14ClNO5S — CID 83272082

IUPAC6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(CN2CCOCC2)cc2c1OCO2
InChIInChI=1S/C12H14ClNO5S/c13-20(15,16)11-6-9(5-10-12(11)19-8-18-10)7-14-1-3-17-4-2-14/h5-6H,1-4,7-8H2
InChIKeyLQYXVUIGVHFXEG-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.17
Rot. Bonds3

About 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride

6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride (PubChem CID 83272082) has the molecular formula C12H14ClNO5S and a molecular weight of 319.77 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride
PubChem CID83272082
Molecular FormulaC12H14ClNO5S
Molecular Weight319.77 g/mol
Exact Mass319.03
IUPAC Name6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(CN2CCOCC2)cc2c1OCO2
InChIInChI=1S/C12H14ClNO5S/c13-20(15,16)11-6-9(5-10-12(11)19-8-18-10)7-14-1-3-17-4-2-14/h5-6H,1-4,7-8H2
InChIKeyLQYXVUIGVHFXEG-UHFFFAOYSA-N
XLogP1.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 84707691
2-fluoro-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271819
2-methyl-5-(morpholin-4-ylmethyl)benzenesulfonyl chloride
CID 83271462
6-(difluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 84712749
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine
CID 65250202
1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 56796821
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 2315916
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
1-[(4-chlorophenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazine
CID 1352847
6-[(dimethylamino)methyl]-1,3-benzodioxole-4-sulfonamide
CID 83272130
2-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64616505
5-(morpholin-4-ylmethyl)thiophene-2-sulfonyl chloride
CID 83271550

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The IUPAC name of 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride (CID 83272082) is 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride is O=S(=O)(Cl)c1cc(CN2CCOCC2)cc2c1OCO2.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride?
The InChIKey is LQYXVUIGVHFXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO5S/c13-20(15,16)11-6-9(5-10-12(11)19-8-18-10)7-14-1-3-17-4-2-14/h5-6H,1-4,7-8H2.
What are the key properties of 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride?
6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride has a molecular weight of 319.77 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-1,3-benzodioxole-4-sulfonyl chloride is sourced from PubChem (CID 83272082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).