N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide

C18H22N2O4S — CID 135589157

IUPACN-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide
SMILESCCCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(OC)ccc1O
InChIInChI=1S/C18H22N2O4S/c1-3-4-10-17(16-13-14(24-2)11-12-18(16)21)19-20-25(22,23)15-8-6-5-7-9-15/h5-9,11-13,20-21H,3-4,10H2,1-2H3/b19-17+
InChIKeyIINAMAIKQGIHIP-HTXNQAPBSA-N
MW362.45 g/mol
LogP3.27
Rot. Bonds8

About N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide

N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide (PubChem CID 135589157) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide
PubChem CID135589157
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide
SMILESCCCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(OC)ccc1O
InChIInChI=1S/C18H22N2O4S/c1-3-4-10-17(16-13-14(24-2)11-12-18(16)21)19-20-25(22,23)15-8-6-5-7-9-15/h5-9,11-13,20-21H,3-4,10H2,1-2H3/b19-17+
InChIKeyIINAMAIKQGIHIP-HTXNQAPBSA-N
XLogP3.27
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxy-3,5-dimethylphenyl)pentylideneamino]benzenesulfonamide
CID 4065035
N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647727
[[10-benzoyloxyimino-1,10-bis(2-hydroxy-5-methoxyphenyl)decylidene]amino] benzoate
CID 4694704
4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 135678808
N-[[(1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-ylidene]amino]benzenesulfonamide
CID 139934221
N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide
CID 11771780
N-[(Z)-[2-(4-methoxyphenoxy)-1-phenylethylidene]amino]-4-methylbenzenesulfonamide
CID 6374670
4-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 136668780
4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 135957990
2-(benzenesulfonamido)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135710674
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide
CID 135958056
N-[1-(4-chlorophenyl)propylideneamino]benzenesulfonamide
CID 840428

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide (CID 135589157) is N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide is CCCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(OC)ccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide?
The InChIKey is IINAMAIKQGIHIP-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-3-4-10-17(16-13-14(24-2)11-12-18(16)21)19-20-25(22,23)15-8-6-5-7-9-15/h5-9,11-13,20-21H,3-4,10H2,1-2H3/b19-17+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide?
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide is sourced from PubChem (CID 135589157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).