4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide

C13H14ClNO3S — CID 117172546

IUPAC4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C(CN2CCOCC2)=Cc2c(Cl)cccc21
InChIInChI=1S/C13H14ClNO3S/c14-12-2-1-3-13-11(12)8-10(19(13,16)17)9-15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKeyHOSLPYYMBSTMOH-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.80
Rot. Bonds2

About 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide

4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide (PubChem CID 117172546) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
PubChem CID117172546
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC Name4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C(CN2CCOCC2)=Cc2c(Cl)cccc21
InChIInChI=1S/C13H14ClNO3S/c14-12-2-1-3-13-11(12)8-10(19(13,16)17)9-15-4-6-18-7-5-15/h1-3,8H,4-7,9H2
InChIKeyHOSLPYYMBSTMOH-UHFFFAOYSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophen-4-ol
CID 117172542
7-methyl-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 117186396
4-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide
CID 22092322
4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
3-chloro-2-(1,4-oxazepan-4-ylmethyl)aniline
CID 63745239
3-(morpholin-4-ylmethyl)-1,1-dioxo-1-benzothiophene-4-carboxylic acid
CID 117170749
(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate
CID 9045977
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
CID 171691361
1-(2,6-dichlorophenyl)-5-morpholin-4-ylpent-1-en-3-one;hydrochloride
CID 70518223
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The IUPAC name of 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide (CID 117172546) is 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide is O=S1(=O)C(CN2CCOCC2)=Cc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
The InChIKey is HOSLPYYMBSTMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c14-12-2-1-3-13-11(12)8-10(19(13,16)17)9-15-4-6-18-7-5-15/h1-3,8H,4-7,9H2.
What are the key properties of 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide?
4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide has a molecular weight of 299.78 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(morpholin-4-ylmethyl)-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117172546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).