(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

C63H52N8O10S3 — CID 158521764

IUPAC(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESNc1ccccc1NC(=O)/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1.Nc1ccccc1NC(=O)/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1.O=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/2C23H19N3O3S.C17H14N2O4S/c24-21-14-5-6-15-22(21)25-23(27)16-7-4-9-18-10-8-11-19(17-18)26-30(28,29)20-12-2-1-3-13-20;24-21-11-5-6-12-22(21)25-23(27)13-7-4-8-18-14-16-19(17-15-18)26-30(28,29)20-9-2-1-3-10-20;20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5-8,10-17,26H,24H2,(H,25,27);1-3,5-7,9-17,26H,24H2,(H,25,27);1-3,5,7-13,19,21H,(H,18,20)/b16-7+;13-7+;9-5+
InChIKeyHMHMIUWXNGWBDR-CRZSWIQPSA-N
MW1177.36 g/mol
LogP9.13
Rot. Bonds14

About (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide

(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide (PubChem CID 158521764) has the molecular formula C63H52N8O10S3 and a molecular weight of 1177.36 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
PubChem CID158521764
Molecular FormulaC63H52N8O10S3
Molecular Weight1177.36 g/mol
Exact Mass1176.30
IUPAC Name(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESNc1ccccc1NC(=O)/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1.Nc1ccccc1NC(=O)/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1.O=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO
InChIInChI=1S/2C23H19N3O3S.C17H14N2O4S/c24-21-14-5-6-15-22(21)25-23(27)16-7-4-9-18-10-8-11-19(17-18)26-30(28,29)20-12-2-1-3-13-20;24-21-11-5-6-12-22(21)25-23(27)13-7-4-8-18-14-16-19(17-15-18)26-30(28,29)20-9-2-1-3-10-20;20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5-8,10-17,26H,24H2,(H,25,27);1-3,5-7,9-17,26H,24H2,(H,25,27);1-3,5,7-13,19,21H,(H,18,20)/b16-7+;13-7+;9-5+
InChIKeyHMHMIUWXNGWBDR-CRZSWIQPSA-N
XLogP9.13
TPSA298.08 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001177.36
LogP ≤ 59.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide with MolForge

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Related Compounds

(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
CID 58974303
(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
CID 10570243
(E)-N-(2-aminophenyl)-5-[3-(methylamino)phenyl]pent-2-en-4-ynamide
CID 142065146
N-[3-[(Z)-pent-3-en-1-ynyl]phenyl]benzenesulfonamide
CID 170620107
N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
CID 10972684
N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 85314407
(E)-5-[3-[(4-nitrophenyl)sulfonylamino]phenyl]pent-2-en-4-ynoic acid
CID 10690638
N-(3-prop-1-ynylphenyl)benzenesulfonamide
CID 155934453
N-[3-[2-(4,6-diaminopyrimidin-5-yl)ethynyl]phenyl]benzenesulfonamide
CID 59744301
4-oxo-4-[4-(phenylsulfamoyl)anilino]but-2-enoic acid
CID 927105
N-(2-aminophenyl)-3-(3,3-dimethylbut-1-ynyl)benzenesulfonamide
CID 89136186
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1329810

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The IUPAC name of (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide (CID 158521764) is (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide is Nc1ccccc1NC(=O)/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1.Nc1ccccc1NC(=O)/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1.O=C(/C=C/C#Cc1ccc(NS(=O)(=O)c2ccccc2)cc1)NO.
What is the InChIKey of (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The InChIKey is HMHMIUWXNGWBDR-CRZSWIQPSA-N. The full InChI is InChI=1S/2C23H19N3O3S.C17H14N2O4S/c24-21-14-5-6-15-22(21)25-23(27)16-7-4-9-18-10-8-11-19(17-18)26-30(28,29)20-12-2-1-3-13-20;24-21-11-5-6-12-22(21)25-23(27)13-7-4-8-18-14-16-19(17-15-18)26-30(28,29)20-9-2-1-3-10-20;20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-24(22,23)16-7-2-1-3-8-16/h1-3,5-8,10-17,26H,24H2,(H,25,27);1-3,5-7,9-17,26H,24H2,(H,25,27);1-3,5,7-13,19,21H,(H,18,20)/b16-7+;13-7+;9-5+.
What are the key properties of (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
(E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide has a molecular weight of 1177.36 g/mol, XLogP of 9.13, 14 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-5-[3-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-N-(2-aminophenyl)-5-[4-(benzenesulfonamido)phenyl]pent-2-en-4-ynamide;(E)-5-[4-(benzenesulfonamido)phenyl]-N-hydroxypent-2-en-4-ynamide is sourced from PubChem (CID 158521764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).