N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide

C14H18N2O3S — CID 141414497

IUPACN-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide
SMILESCc1cc2onc(C)c2cc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H18N2O3S/c1-9-7-14-12(10(2)15-19-14)8-13(9)16-20(17,18)11-5-3-4-6-11/h7-8,11,16H,3-6H2,1-2H3
InChIKeyHUEGWFKIDKMWPI-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.13
Rot. Bonds3

About N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide

N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide (PubChem CID 141414497) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide
PubChem CID141414497
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide
SMILESCc1cc2onc(C)c2cc1NS(=O)(=O)C1CCCC1
InChIInChI=1S/C14H18N2O3S/c1-9-7-14-12(10(2)15-19-14)8-13(9)16-20(17,18)11-5-3-4-6-11/h7-8,11,16H,3-6H2,1-2H3
InChIKeyHUEGWFKIDKMWPI-UHFFFAOYSA-N
XLogP3.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide?
The IUPAC name of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide (CID 141414497) is N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide.
What is the SMILES notation for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide?
The canonical SMILES for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide is Cc1cc2onc(C)c2cc1NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide?
The InChIKey is HUEGWFKIDKMWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-9-7-14-12(10(2)15-19-14)8-13(9)16-20(17,18)11-5-3-4-6-11/h7-8,11,16H,3-6H2,1-2H3.
What are the key properties of N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide?
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide is sourced from PubChem (CID 141414497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).