1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide

C11H17ClN2O3S — CID 126581769

IUPAC1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide
SMILESCC(C)OC(c1ccc(Cl)cn1)C(C)S(N)(=O)=O
InChIInChI=1S/C11H17ClN2O3S/c1-7(2)17-11(8(3)18(13,15)16)10-5-4-9(12)6-14-10/h4-8,11H,1-3H3,(H2,13,15,16)
InChIKeyHCVUPEYFESMOTG-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.88
Rot. Bonds5

About 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide

1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide (PubChem CID 126581769) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide
PubChem CID126581769
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide
SMILESCC(C)OC(c1ccc(Cl)cn1)C(C)S(N)(=O)=O
InChIInChI=1S/C11H17ClN2O3S/c1-7(2)17-11(8(3)18(13,15)16)10-5-4-9(12)6-14-10/h4-8,11H,1-3H3,(H2,13,15,16)
InChIKeyHCVUPEYFESMOTG-UHFFFAOYSA-N
XLogP1.88
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide
CID 161413357
1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 122702046
(1R)-1-(5-chloro-2-pyridinyl)ethanamine;dihydrochloride
CID 75524979
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]methanesulfonamide
CID 100762146
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
2-(1-bromoethyl)-5-chloropyridine
CID 58279845
(1R)-1-(5-chloro-2-pyridinyl)-2-methylpropan-1-amine;hydrochloride
CID 139490132
3-(5-chloro-2-pyridinyl)-4-methylpentan-2-amine
CID 63197527
5-chloropyridine-2-sulfonamide
CID 22244571
(1S,2S)-1-(5-chloro-2-pyridinyl)-1-hydroxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 122701832
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502
ethyl 3-(5-chloro-2-pyridinyl)-2,3-dihydroxypropanoate
CID 171865586

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide (CID 126581769) is 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide is CC(C)OC(c1ccc(Cl)cn1)C(C)S(N)(=O)=O.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide?
The InChIKey is HCVUPEYFESMOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-7(2)17-11(8(3)18(13,15)16)10-5-4-9(12)6-14-10/h4-8,11H,1-3H3,(H2,13,15,16).
What are the key properties of 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide?
1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-1-propan-2-yloxypropane-2-sulfonamide is sourced from PubChem (CID 126581769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).