N-cyclopentyl-2-nitrobenzenesulfonamide

C11H14N2O4S — CID 2058492

IUPACN-cyclopentyl-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C11H14N2O4S/c14-13(15)10-7-3-4-8-11(10)18(16,17)12-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2
InChIKeySMAJHWAPCLMOPE-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.82
Rot. Bonds4

About N-cyclopentyl-2-nitrobenzenesulfonamide

N-cyclopentyl-2-nitrobenzenesulfonamide (PubChem CID 2058492) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-cyclopentyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-nitrobenzenesulfonamide
PubChem CID2058492
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-cyclopentyl-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C11H14N2O4S/c14-13(15)10-7-3-4-8-11(10)18(16,17)12-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2
InChIKeySMAJHWAPCLMOPE-UHFFFAOYSA-N
XLogP1.82
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-nitrobenzenesulfonamide (CID 2058492) is N-cyclopentyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-nitrobenzenesulfonamide?
The InChIKey is SMAJHWAPCLMOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-13(15)10-7-3-4-8-11(10)18(16,17)12-9-5-1-2-6-9/h3-4,7-9,12H,1-2,5-6H2.
What are the key properties of N-cyclopentyl-2-nitrobenzenesulfonamide?
N-cyclopentyl-2-nitrobenzenesulfonamide has a molecular weight of 270.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 2058492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).