4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C14H21N3O5S — CID 119970253

IUPAC4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C2CCCNC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O5S/c1-10(11-4-3-7-15-9-11)16-23(20,21)14-6-5-12(22-2)8-13(14)17(18)19/h5-6,8,10-11,15-16H,3-4,7,9H2,1-2H3
InChIKeyPVIZCDJMIWCUBU-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.27
Rot. Bonds6

About 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 119970253) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID119970253
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C2CCCNC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O5S/c1-10(11-4-3-7-15-9-11)16-23(20,21)14-6-5-12(22-2)8-13(14)17(18)19/h5-6,8,10-11,15-16H,3-4,7,9H2,1-2H3
InChIKeyPVIZCDJMIWCUBU-UHFFFAOYSA-N
XLogP1.27
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.27
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 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide 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

2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419
2-chloro-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970329
2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62047418
4-ethoxy-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045038
N-(1-hydroxypropan-2-yl)-4-methoxy-2-nitrobenzenesulfonamide
CID 43502283
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2-nitrobenzenesulfonamide
CID 79245918
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 119970253) is 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)C2CCCNC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is PVIZCDJMIWCUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-10(11-4-3-7-15-9-11)16-23(20,21)14-6-5-12(22-2)8-13(14)17(18)19/h5-6,8,10-11,15-16H,3-4,7,9H2,1-2H3.
What are the key properties of 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 119970253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).