N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide

C13H16ClN3O3S — CID 166603296

IUPACN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C13H16ClN3O3S/c1-21(18,19)16-10-4-6-17(7-5-10)13-15-11-8-9(14)2-3-12(11)20-13/h2-3,8,10,16H,4-7H2,1H3
InChIKeyRUEVGRIOZDQSMV-UHFFFAOYSA-N
MW329.81 g/mol
LogP2.00
Rot. Bonds3

About N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide (PubChem CID 166603296) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
PubChem CID166603296
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C13H16ClN3O3S/c1-21(18,19)16-10-4-6-17(7-5-10)13-15-11-8-9(14)2-3-12(11)20-13/h2-3,8,10,16H,4-7H2,1H3
InChIKeyRUEVGRIOZDQSMV-UHFFFAOYSA-N
XLogP2.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide (CID 166603296) is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide?
The InChIKey is RUEVGRIOZDQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-21(18,19)16-10-4-6-17(7-5-10)13-15-11-8-9(14)2-3-12(11)20-13/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide?
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide has a molecular weight of 329.81 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 166603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).