2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide

C14H21N3O4S — CID 120723093

IUPAC2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CNCCC1C
InChIInChI=1S/C14H21N3O4S/c1-9-4-5-15-8-13(9)16-22(20,21)14-10(2)6-12(17(18)19)7-11(14)3/h6-7,9,13,15-16H,4-5,8H2,1-3H3
InChIKeyWZZKFNZULVVKNH-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.49
Rot. Bonds4

About 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide

2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide (PubChem CID 120723093) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide
PubChem CID120723093
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CNCCC1C
InChIInChI=1S/C14H21N3O4S/c1-9-4-5-15-8-13(9)16-22(20,21)14-10(2)6-12(17(18)19)7-11(14)3/h6-7,9,13,15-16H,4-5,8H2,1-3H3
InChIKeyWZZKFNZULVVKNH-UHFFFAOYSA-N
XLogP1.49
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.49
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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Related Compounds

2,6-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960405
2-fluoro-N-(4-methylpiperidin-3-yl)-6-nitrobenzenesulfonamide;hydrochloride
CID 120722936
2-fluoro-6-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120723323
4-bromo-N-(4-methylpiperidin-3-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 120723071
2,6-dimethyl-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979216
3,5-dimethyl-N-(4-methylpiperidin-3-yl)-1H-pyrazole-4-sulfonamide
CID 63329703
2,5-dimethyl-N-(4-methylpiperidin-3-yl)furan-3-sulfonamide
CID 120723047
2,3-dimethyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzenesulfonamide
CID 120726595
2,3-dimethyl-5-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120716707
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
6-methyl-N-(4-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120876388

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide (CID 120723093) is 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide is Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1CNCCC1C.
What is the InChIKey of 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide?
The InChIKey is WZZKFNZULVVKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-9-4-5-15-8-13(9)16-22(20,21)14-10(2)6-12(17(18)19)7-11(14)3/h6-7,9,13,15-16H,4-5,8H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide?
2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 120723093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).