(NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide

C18H19NO5S — CID 134836426

IUPAC(NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide
SMILESCOCC1/C(=N/S(=O)(=O)c2ccc(C)cc2)Oc2ccccc2C1O
InChIInChI=1S/C18H19NO5S/c1-12-7-9-13(10-8-12)25(21,22)19-18-15(11-23-2)17(20)14-5-3-4-6-16(14)24-18/h3-10,15,17,20H,11H2,1-2H3/b19-18-
InChIKeyUEAGMMREXMKVLJ-HNENSFHCSA-N
MW361.42 g/mol
LogP2.47
Rot. Bonds4

About (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide

(NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide (PubChem CID 134836426) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide
PubChem CID134836426
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name(NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide
SMILESCOCC1/C(=N/S(=O)(=O)c2ccc(C)cc2)Oc2ccccc2C1O
InChIInChI=1S/C18H19NO5S/c1-12-7-9-13(10-8-12)25(21,22)19-18-15(11-23-2)17(20)14-5-3-4-6-16(14)24-18/h3-10,15,17,20H,11H2,1-2H3/b19-18-
InChIKeyUEAGMMREXMKVLJ-HNENSFHCSA-N
XLogP2.47
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.47
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

methyl 4-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)-4H-chromene-3-carboxylate
CID 102299766
methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
CID 102299763
N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
CID 102105075
[(2S,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]methyl 4-methylbenzenesulfonate
CID 23247673
[(15S,16S)-16-[(4-methylphenyl)sulfonyloxymethyl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl 4-methylbenzenesulfonate
CID 12556923
(NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
CID 134907065
N-(7H-benzo[c]xanthen-7-yl)-4-methylbenzenesulfonamide
CID 102105080
(2E)-2-[(4-methylphenyl)methylidene]-3H-1-benzofuran-3-ol
CID 42638994
4-methyl-N-[(3E)-3-(4-methylphenyl)sulfonylimino-2,4-diphenylcyclobuten-1-yl]benzenesulfonimidic acid
CID 57338971
N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 22837010

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide (CID 134836426) is (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide is COCC1/C(=N/S(=O)(=O)c2ccc(C)cc2)Oc2ccccc2C1O.
What is the InChIKey of (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is UEAGMMREXMKVLJ-HNENSFHCSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-12-7-9-13(10-8-12)25(21,22)19-18-15(11-23-2)17(20)14-5-3-4-6-16(14)24-18/h3-10,15,17,20H,11H2,1-2H3/b19-18-.
What are the key properties of (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 361.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-hydroxy-3-(methoxymethyl)-3,4-dihydrochromen-2-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134836426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).