N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C16H19N3O4S — CID 6736317

IUPACN-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCN(CCc1ccccn1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H19N3O4S/c1-3-18(11-9-14-6-4-5-10-17-14)24(22,23)15-8-7-13(2)16(12-15)19(20)21/h4-8,10,12H,3,9,11H2,1-2H3
InChIKeyFIIWUCMNDNKEMD-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.55
Rot. Bonds7

About N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 6736317) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID6736317
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCN(CCc1ccccn1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H19N3O4S/c1-3-18(11-9-14-6-4-5-10-17-14)24(22,23)15-8-7-13(2)16(12-15)19(20)21/h4-8,10,12H,3,9,11H2,1-2H3
InChIKeyFIIWUCMNDNKEMD-UHFFFAOYSA-N
XLogP2.55
TPSA93.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
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'}

Analyze N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-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

N-ethyl-2,3,5,6-tetramethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 23905703
3-[ethyl-(4-methyl-3-nitrophenyl)sulfonylamino]propanoic acid
CID 61008891
4-methyl-3-nitro-N,N-dipropylbenzenesulfonamide
CID 2836740
4-cyano-N-ethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 5016217
4-[cyclopropyl(pyridin-2-ylmethyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 55393741
N,N-diethyl-3-nitro-4-[2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 4022283
N,N-diethyl-3,4-dimethyl-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 24580934
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
4-[methyl(2-pyridin-2-ylethyl)amino]-3-nitro-N-phenylbenzenesulfonamide
CID 9282102
N-[(2-chlorophenyl)methyl]-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 42696840
2-[3-(2-methyl-5-nitrophenyl)sulfonylpropyl]pyridine
CID 162727354
N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 6736317) is N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CCN(CCc1ccccn1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is FIIWUCMNDNKEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-18(11-9-14-6-4-5-10-17-14)24(22,23)15-8-7-13(2)16(12-15)19(20)21/h4-8,10,12H,3,9,11H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 6736317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).