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N-[6-chloro-4-(hydroxymethyl)pyridin-2-yl]-N-propylmethanesulfonamide

HCID 57775667
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCN(c1cc(CO)cc(Cl)n1)S(C)(=O)=O
InChIKey
FSVXOSQNKJSJTN-UHFFFAOYSA-N
Molecular formula
C10H15ClN2O3S
Average molar mass
278.76 g/mol

Names & identifiers

Preferred name
N-[6-chloro-4-(hydroxymethyl)pyridin-2-yl]-N-propylmethanesulfonamide
IUPAC
N-[6-chloro-4-(hydroxymethyl)-2-pyridinyl]-N-propylmethanesulfonamide

Names & synonyms

SCHEMBL1813973FSVXOSQNKJSJTN-UHFFFAOYSA-NN-[6-chloro-4(hydroxymethyl)pyridin-2-yl]-N-propylmethanesulfonamideN-[6-chloro-4-(hydroxymethyl)pyridin-2-yl]-N-propylmethanesulfonamide

Database identifiers

PubChem CID
57775667

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
78.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17
Formal charge
0
Complexity
331

Related reactions

8 records
New reaction record
HRID 552889 reaction equation
HRID 552889As productuspto-grants-2011_05
HRID 552890 reaction equation
HRID 552890As reactantuspto-grants-2011_05
HRID 663171 reaction equation
HRID 663171As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 673646 reaction equation
HRID 673646As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 899446 reaction equation
HRID 899446As productuspto-grants-2008_04
HRID 899447 reaction equation
HRID 899447As reactantuspto-grants-2008_04
HRID 945299 reaction equation
HRID 945299As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1160183 reaction equation
HRID 1160183As productuspto-grants-2010_10

Compound notes

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