2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide

C11H14ClN3O4S — CID 119960582

IUPAC2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C11H14ClN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2
InChIKeyBMFXCVGCKOKFMV-UHFFFAOYSA-N
MW319.77 g/mol
LogP1.28
Rot. Bonds4

About 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide

2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 119960582) has the molecular formula C11H14ClN3O4S and a molecular weight of 319.77 g/mol. Its IUPAC name is 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
PubChem CID119960582
Molecular FormulaC11H14ClN3O4S
Molecular Weight319.77 g/mol
Exact Mass319.04
IUPAC Name2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CCNCC1
InChIInChI=1S/C11H14ClN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2
InChIKeyBMFXCVGCKOKFMV-UHFFFAOYSA-N
XLogP1.28
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide (CID 119960582) is 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide is O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1CCNCC1.
What is the InChIKey of 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is BMFXCVGCKOKFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O4S/c12-9-2-1-3-10(15(16)17)11(9)20(18,19)14-8-4-6-13-7-5-8/h1-3,8,13-14H,4-7H2.
What are the key properties of 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide?
2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 319.77 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-nitro-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 119960582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).