N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide

C15H15Cl2N3O3S — CID 58436871

IUPACN-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide
SMILESCO/N=C(\CCNS(=O)(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O3S/c1-23-20-15(11-4-5-13(16)14(17)9-11)6-8-19-24(21,22)12-3-2-7-18-10-12/h2-5,7,9-10,19H,6,8H2,1H3/b20-15+
InChIKeyAUKKTNKQXYISPS-HMMYKYKNSA-N
MW388.28 g/mol
LogP3.11
Rot. Bonds7

About N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide

N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide (PubChem CID 58436871) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide
PubChem CID58436871
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC NameN-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide
SMILESCO/N=C(\CCNS(=O)(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O3S/c1-23-20-15(11-4-5-13(16)14(17)9-11)6-8-19-24(21,22)12-3-2-7-18-10-12/h2-5,7,9-10,19H,6,8H2,1H3/b20-15+
InChIKeyAUKKTNKQXYISPS-HMMYKYKNSA-N
XLogP3.11
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
(5E)-5-(3,4-dichlorophenyl)-5-methoxyimino-3-methyl-1-pyridin-3-ylpentan-2-one
CID 58436822
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191
N-propylpyridine-3-sulfonamide
CID 43258995
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39945799
N-[2-(2-methoxyethylamino)ethyl]pyridine-3-sulfonamide
CID 83038911
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
(4Z)-4-(3,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-methoxyiminobutanamide
CID 45101354
N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide
CID 140673297
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide (CID 58436871) is N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide is CO/N=C(\CCNS(=O)(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide?
The InChIKey is AUKKTNKQXYISPS-HMMYKYKNSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-23-20-15(11-4-5-13(16)14(17)9-11)6-8-19-24(21,22)12-3-2-7-18-10-12/h2-5,7,9-10,19H,6,8H2,1H3/b20-15+.
What are the key properties of N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide?
N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide has a molecular weight of 388.28 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 58436871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).