1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol

C10H14ClNO3S — CID 105082589

IUPAC1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ccncc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-16(14,15)6-2-3-10(13)8-4-5-12-7-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeyNTIXKKAMHPQLOO-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol

1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol (PubChem CID 105082589) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol
PubChem CID105082589
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1ccncc1Cl
InChIInChI=1S/C10H14ClNO3S/c1-16(14,15)6-2-3-10(13)8-4-5-12-7-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3
InChIKeyNTIXKKAMHPQLOO-UHFFFAOYSA-N
XLogP1.59
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
1-(5-bromo-2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 115780199
1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 63192126
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
1-(3-methoxy-4-pyridinyl)-4-methylsulfonylbutan-1-amine
CID 105065316
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089032
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
CID 114983965

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol (CID 105082589) is 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCCC(O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is NTIXKKAMHPQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-16(14,15)6-2-3-10(13)8-4-5-12-7-9(8)11/h4-5,7,10,13H,2-3,6H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol?
1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 263.75 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 105082589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).