N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide

C11H13N3O3S — CID 4649843

IUPACN-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cccc2nonc12
InChIInChI=1S/C11H13N3O3S/c15-18(16,14-8-4-1-2-5-8)10-7-3-6-9-11(10)13-17-12-9/h3,6-8,14H,1-2,4-5H2
InChIKeyUTEZIUYHLDDXGC-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.44
Rot. Bonds3

About N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide

N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 4649843) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID4649843
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cccc2nonc12
InChIInChI=1S/C11H13N3O3S/c15-18(16,14-8-4-1-2-5-8)10-7-3-6-9-11(10)13-17-12-9/h3,6-8,14H,1-2,4-5H2
InChIKeyUTEZIUYHLDDXGC-UHFFFAOYSA-N
XLogP1.44
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide (CID 4649843) is N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(NC1CCCC1)c1cccc2nonc12.
What is the InChIKey of N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is UTEZIUYHLDDXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-18(16,14-8-4-1-2-5-8)10-7-3-6-9-11(10)13-17-12-9/h3,6-8,14H,1-2,4-5H2.
What are the key properties of N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide?
N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 4649843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).