4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

C19H17N3O3S — CID 45113143

IUPAC4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-17-9-5-15(6-10-17)14-21-16-7-11-18(12-8-16)26(23,24)22-19-4-2-3-13-20-19/h2-14H,1H3,(H,20,22)/b21-14+
InChIKeyKXRKQACOTJQHKS-KGENOOAVSA-N
MW367.43 g/mol
LogP3.64
Rot. Bonds6

About 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide

4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 45113143) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID45113143
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C19H17N3O3S/c1-25-17-9-5-15(6-10-17)14-21-16-7-11-18(12-8-16)26(23,24)22-19-4-2-3-13-20-19/h2-14H,1H3,(H,20,22)/b21-14+
InChIKeyKXRKQACOTJQHKS-KGENOOAVSA-N
XLogP3.64
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 25138033
4-methoxy-N-[2-(4-pyridinyl)ethyl]benzenesulfonamide
CID 688003
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzenesulfonamide
CID 53312065
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzenesulfonamide
CID 53312148
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-cyclopropyl-benzenesulfonamide
CID 67325548
3-(6-Methoxy-3-pyridyl)-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridin-2-amine
CID 68305341
1-(4-Methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484980
6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
6-[2-(4-Methoxyphenyl)ethylamino]pyridine-3-sulfonamide
CID 9405815
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide (CID 45113143) is 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is KXRKQACOTJQHKS-KGENOOAVSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-25-17-9-5-15(6-10-17)14-21-16-7-11-18(12-8-16)26(23,24)22-19-4-2-3-13-20-19/h2-14H,1H3,(H,20,22)/b21-14+.
What are the key properties of 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide?
4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 45113143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).