4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide

C20H19N3O3S — CID 123699521

IUPAC4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/Cc2ccc(OCc3ccccc3)cn2)cc1
InChIInChI=1S/C20H19N3O3S/c1-16-7-11-20(12-8-16)27(24,25)23-22-13-18-9-10-19(14-21-18)26-15-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3/b23-22+
InChIKeyDDMFDICPTSFPNO-GHVJWSGMSA-N
MW381.46 g/mol
LogP4.31
Rot. Bonds7

About 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide

4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide (PubChem CID 123699521) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide
PubChem CID123699521
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/Cc2ccc(OCc3ccccc3)cn2)cc1
InChIInChI=1S/C20H19N3O3S/c1-16-7-11-20(12-8-16)27(24,25)23-22-13-18-9-10-19(14-21-18)26-15-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3/b23-22+
InChIKeyDDMFDICPTSFPNO-GHVJWSGMSA-N
XLogP4.31
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
3-(5-phenylmethoxy-2-pyridinyl)propanamide
CID 167598838
2-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]ethyl 4-methylbenzenesulfonate
CID 139768763
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
1-[4-[[4-(methoxymethyl)phenyl]methoxy]phenyl]sulfonyl-4-methylbenzene
CID 176847126
5-(4-phenylmethoxyphenyl)pentyl 4-methylbenzenesulfonate
CID 15328769
4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene
CID 58133164
5-[(2-chlorophenyl)methoxy]-2-(nitrosomethyl)pyridine
CID 123537932
azane;benzyl 2-amino-3-(5-phenylmethoxy-2-pyridinyl)propanoate
CID 174391409

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide (CID 123699521) is 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=N/Cc2ccc(OCc3ccccc3)cn2)cc1.
What is the InChIKey of 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide?
The InChIKey is DDMFDICPTSFPNO-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-16-7-11-20(12-8-16)27(24,25)23-22-13-18-9-10-19(14-21-18)26-15-17-5-3-2-4-6-17/h2-12,14H,13,15H2,1H3/b23-22+.
What are the key properties of 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide?
4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide has a molecular weight of 381.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-phenylmethoxy-2-pyridinyl)methylimino]benzenesulfonamide is sourced from PubChem (CID 123699521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).