5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride

C11H17ClN4O4S — CID 71635724

IUPAC5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCCNC2)nc1
InChIInChI=1S/C11H16N4O4S.ClH/c16-15(17)10-3-4-11(13-8-10)20(18,19)14-7-9-2-1-5-12-6-9;/h3-4,8-9,12,14H,1-2,5-7H2;1H
InChIKeySGGMRSWJANDAQB-UHFFFAOYSA-N
MW336.80 g/mol
LogP0.69
Rot. Bonds5

About 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride

5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride (PubChem CID 71635724) has the molecular formula C11H17ClN4O4S and a molecular weight of 336.80 g/mol. Its IUPAC name is 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride
PubChem CID71635724
Molecular FormulaC11H17ClN4O4S
Molecular Weight336.80 g/mol
Exact Mass336.07
IUPAC Name5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCCNC2)nc1
InChIInChI=1S/C11H16N4O4S.ClH/c16-15(17)10-3-4-11(13-8-10)20(18,19)14-7-9-2-1-5-12-6-9;/h3-4,8-9,12,14H,1-2,5-7H2;1H
InChIKeySGGMRSWJANDAQB-UHFFFAOYSA-N
XLogP0.69
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfonyl]pyridine
CID 97177838
5-nitro-N-pyrrolidin-3-ylpyridine-2-sulfonamide
CID 71635717
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
CID 97166084
N-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71642116
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-chloro-3-cyano-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968407
3-bromo-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968592
2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
3-fluoro-4-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120707908

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride?
The IUPAC name of 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride (CID 71635724) is 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride is Cl.O=[N+]([O-])c1ccc(S(=O)(=O)NCC2CCCNC2)nc1.
What is the InChIKey of 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride?
The InChIKey is SGGMRSWJANDAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S.ClH/c16-15(17)10-3-4-11(13-8-10)20(18,19)14-7-9-2-1-5-12-6-9;/h3-4,8-9,12,14H,1-2,5-7H2;1H.
What are the key properties of 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride?
5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride has a molecular weight of 336.80 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(piperidin-3-ylmethyl)pyridine-2-sulfonamide;hydrochloride is sourced from PubChem (CID 71635724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).