N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide

C15H18IN3O2S — CID 5267788

IUPACN,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Nc2ccc(I)cc2)nc1
InChIInChI=1S/C15H18IN3O2S/c1-3-19(4-2)22(20,21)14-9-10-15(17-11-14)18-13-7-5-12(16)6-8-13/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyZXTFUIFGNZFGJA-UHFFFAOYSA-N
MW431.30 g/mol
LogP3.46
Rot. Bonds6

About N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide

N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide (PubChem CID 5267788) has the molecular formula C15H18IN3O2S and a molecular weight of 431.30 g/mol. Its IUPAC name is N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide
PubChem CID5267788
Molecular FormulaC15H18IN3O2S
Molecular Weight431.30 g/mol
Exact Mass431.02
IUPAC NameN,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Nc2ccc(I)cc2)nc1
InChIInChI=1S/C15H18IN3O2S/c1-3-19(4-2)22(20,21)14-9-10-15(17-11-14)18-13-7-5-12(16)6-8-13/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyZXTFUIFGNZFGJA-UHFFFAOYSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-(4-ethylanilino)pyridine-3-sulfonamide
CID 5267715
N,N-diethyl-6-(4-fluoroanilino)pyridine-3-sulfonamide
CID 5267789
6-anilino-N,N-diethylpyridine-3-sulfonamide
CID 829839
6-(4-ethoxyanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267681
N,N-diethyl-6-(2-methoxyanilino)pyridine-3-sulfonamide
CID 5267780
6-(4-bromoanilino)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 5268427
6-(4-fluoroanilino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267884
N-ethyl-N-phenyl-6-(pyridin-4-ylamino)pyridine-3-sulfonamide
CID 5268351
N,N-diethyl-6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 4849554
6-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N,N-diethylpyridine-3-sulfonamide
CID 42996124
6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267682
6-(2-cyclohexylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 18207434

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide?
The IUPAC name of N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide (CID 5267788) is N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide.
What is the SMILES notation for N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide?
The canonical SMILES for N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(I)cc2)nc1.
What is the InChIKey of N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide?
The InChIKey is ZXTFUIFGNZFGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O2S/c1-3-19(4-2)22(20,21)14-9-10-15(17-11-14)18-13-7-5-12(16)6-8-13/h5-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide?
N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide has a molecular weight of 431.30 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(4-iodoanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 5267788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).