6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide

C14H20ClN3O3S — CID 97012651

IUPAC6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C14H20ClN3O3S/c15-14-2-1-13(9-16-14)22(19,20)17-11-3-6-18(7-4-11)12-5-8-21-10-12/h1-2,9,11-12,17H,3-8,10H2/t12-/m1/s1
InChIKeyLLLVDPLFCYWTAF-GFCCVEGCSA-N
MW345.85 g/mol
LogP1.27
Rot. Bonds4

About 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide

6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide (PubChem CID 97012651) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide
PubChem CID97012651
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(Cl)nc1
InChIInChI=1S/C14H20ClN3O3S/c15-14-2-1-13(9-16-14)22(19,20)17-11-3-6-18(7-4-11)12-5-8-21-10-12/h1-2,9,11-12,17H,3-8,10H2/t12-/m1/s1
InChIKeyLLLVDPLFCYWTAF-GFCCVEGCSA-N
XLogP1.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-cyclooctylpyridine-3-sulfonamide
CID 7938157
6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide
CID 24627279
methyl 4-chloro-3-[[1-[(3S)-oxolan-3-yl]piperidin-4-yl]sulfamoyl]benzoate
CID 96999446
6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83014235
6-amino-N-(1-cyclopropylpyrrolidin-3-yl)pyridine-3-sulfonamide
CID 62159349
6-cyano-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 113320215
6-chloro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-3-sulfonamide
CID 103765722
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-sulfonamide
CID 166097333
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
CID 80601602
N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17455064

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide (CID 97012651) is 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide is O=S(=O)(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide?
The InChIKey is LLLVDPLFCYWTAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c15-14-2-1-13(9-16-14)22(19,20)17-11-3-6-18(7-4-11)12-5-8-21-10-12/h1-2,9,11-12,17H,3-8,10H2/t12-/m1/s1.
What are the key properties of 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide?
6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide has a molecular weight of 345.85 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 97012651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).