N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

C16H23ClN2O4S — CID 126772529

IUPACN-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O4S/c17-15-4-1-9-18-16(15)23-13-7-5-12(6-8-13)19-24(20,21)11-14-3-2-10-22-14/h1,4,9,12-14,19H,2-3,5-8,10-11H2
InChIKeyMINYKTGLCXPFLR-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.52
Rot. Bonds6

About N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 126772529) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID126772529
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NC1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O4S/c17-15-4-1-9-18-16(15)23-13-7-5-12(6-8-13)19-24(20,21)11-14-3-2-10-22-14/h1,4,9,12-14,19H,2-3,5-8,10-11H2
InChIKeyMINYKTGLCXPFLR-UHFFFAOYSA-N
XLogP2.52
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (CID 126772529) is N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is O=S(=O)(CC1CCCO1)NC1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is MINYKTGLCXPFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c17-15-4-1-9-18-16(15)23-13-7-5-12(6-8-13)19-24(20,21)11-14-3-2-10-22-14/h1,4,9,12-14,19H,2-3,5-8,10-11H2.
What are the key properties of N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 374.89 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 126772529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).