N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide

C19H17N5O3S — CID 4522483

IUPACN-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C(Cn2nnc3ccccc32)c2ccco2)cc1
InChIInChI=1S/C19H17N5O3S/c1-14-8-10-15(11-9-14)28(25,26)23-21-17(19-7-4-12-27-19)13-24-18-6-3-2-5-16(18)20-22-24/h2-12,23H,13H2,1H3
InChIKeyMLZORXRJSXPPOV-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.72
Rot. Bonds6

About N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide

N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide (PubChem CID 4522483) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide
PubChem CID4522483
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC NameN-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=C(Cn2nnc3ccccc32)c2ccco2)cc1
InChIInChI=1S/C19H17N5O3S/c1-14-8-10-15(11-9-14)28(25,26)23-21-17(19-7-4-12-27-19)13-24-18-6-3-2-5-16(18)20-22-24/h2-12,23H,13H2,1H3
InChIKeyMLZORXRJSXPPOV-UHFFFAOYSA-N
XLogP2.72
TPSA102.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(Z)-[2-(benzotriazol-1-yl)-1-(4-methylphenyl)ethylidene]amino]-4-methylbenzenesulfonamide
CID 6536218
N-[(E)-[2-(benzotriazol-1-yl)-1-naphthalen-1-ylethylidene]amino]-4-methylbenzenesulfonamide
CID 86665018
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
N-[2-(benzotriazol-1-yl)ethyl]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 154848638
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[[2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenoxyethylidene]amino]-4-methylbenzenesulfonamide
CID 4519325
N-[(E)-[1-(benzotriazol-1-yl)-1-pyrrol-1-yloctadecan-2-ylidene]amino]-4-methylbenzenesulfonamide
CID 6138762
2-(benzotriazol-1-ylmethyl)-1-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylguanidine
CID 3825973
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-[4-(benzotriazol-1-yl)-1-phenylbut-2-ynyl]-4-methylbenzenesulfonamide
CID 3783055
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-(furan-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 1439846
(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine
CID 6525569

Frequently Asked Questions

What is the IUPAC name of N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide (CID 4522483) is N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NN=C(Cn2nnc3ccccc32)c2ccco2)cc1.
What is the InChIKey of N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide?
The InChIKey is MLZORXRJSXPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-14-8-10-15(11-9-14)28(25,26)23-21-17(19-7-4-12-27-19)13-24-18-6-3-2-5-16(18)20-22-24/h2-12,23H,13H2,1H3.
What are the key properties of N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide?
N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide has a molecular weight of 395.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(benzotriazol-1-yl)-1-(furan-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4522483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).