(E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide

C17H14N2O3S — CID 130433117

IUPAC(E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESO=C(/C=C/C#Cc1ccc(NS(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C17H14N2O3S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-23(22)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
InChIKeyAJSAURACYMHUTC-WEVVVXLNSA-N
MW326.38 g/mol
LogP2.23
Rot. Bonds4

About (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide

(E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide (PubChem CID 130433117) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide.

Molecular Properties

Compound Name(E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide
PubChem CID130433117
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide
SMILESO=C(/C=C/C#Cc1ccc(NS(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C17H14N2O3S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-23(22)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+
InChIKeyAJSAURACYMHUTC-WEVVVXLNSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

(E)-N-methyl-5-phenylpent-2-en-4-ynamide
CID 166437906
(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
N-[4-(2-hydroxyethyl)phenyl]benzenesulfinamide
CID 67712585
(E)-5-[4-(benzenesulfonamido)phenyl]-N-(2-methylphenyl)pent-2-en-4-ynamide
CID 58974303
6-[[(E)-5-phenylpent-2-en-4-ynoyl]amino]hexanoic acid
CID 23092232
(E)-1-(2-bromophenyl)-5-phenylpent-2-en-4-yn-1-one
CID 122385866
(E)-N-hydroxy-5-[3-[(4-methylphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
CID 10570243
1,4-bis(4-phenylbut-3-en-1-ynyl)benzene
CID 71446163
tert-butyl (E)-5-phenylpent-2-en-4-ynoate
CID 102425562
N-(3-ethynylphenyl)benzenesulfinamide
CID 130315591
(E)-1-naphthalen-1-yl-5-phenylpent-2-en-4-yn-1-one
CID 122385874
(E)-5-phenylpent-2-en-4-ynenitrile
CID 102085204

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The IUPAC name of (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide (CID 130433117) is (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide.
What is the SMILES notation for (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The canonical SMILES for (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide is O=C(/C=C/C#Cc1ccc(NS(=O)c2ccccc2)cc1)NO.
What is the InChIKey of (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
The InChIKey is AJSAURACYMHUTC-WEVVVXLNSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-17(18-21)9-5-4-6-14-10-12-15(13-11-14)19-23(22)16-7-2-1-3-8-16/h1-3,5,7-13,19,21H,(H,18,20)/b9-5+.
What are the key properties of (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide?
(E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide has a molecular weight of 326.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-(benzenesulfinamido)phenyl]-N-hydroxypent-2-en-4-ynamide is sourced from PubChem (CID 130433117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).