(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide

C17H18N2O6S — CID 11406292

IUPAC(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(/C=C/C(=O)NO)c2)cc1OC
InChIInChI=1S/C17H18N2O6S/c1-24-15-8-7-14(11-16(15)25-2)26(22,23)19-13-5-3-4-12(10-13)6-9-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b9-6+
InChIKeySXEVGKZLFXWXHJ-RMKNXTFCSA-N
MW378.41 g/mol
LogP2.02
Rot. Bonds7

About (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 11406292) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
PubChem CID11406292
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(/C=C/C(=O)NO)c2)cc1OC
InChIInChI=1S/C17H18N2O6S/c1-24-15-8-7-14(11-16(15)25-2)26(22,23)19-13-5-3-4-12(10-13)6-9-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b9-6+
InChIKeySXEVGKZLFXWXHJ-RMKNXTFCSA-N
XLogP2.02
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-(2-Amino-phenyl)-3-[4-(3,4-dimethoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10226045
2-[(3,4-Dimethoxyphenyl)sulfonylamino]benzamide
CID 778405
(2E)-3-(3-(((4-Methoxyphenyl)sulfonyl)amino)phenyl)-2-propenoic acid
CID 805419
NJ65Yjm5PE
CID 5353770
(E)-N-hydroxy-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 9902895
(E)-3-[3-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 9969900
(E)-3-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-N-hydroxyprop-2-enamide
CID 10134605
N-Hydroxy-3-[4-(4-methoxy-benzenesulfonylamino)-phenyl]-acrylamide
CID 10247137
(E)-N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10269218
(E)-N-hydroxy-5-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]pent-2-en-4-ynamide
CID 10339233
3-[4-(3,4-Dimethoxy-phenylsulfamoyl)-phenyl]-N-hydroxy-acrylamide
CID 11036226
3-[4-[4-(Trifluoromethoxy)phenylsulfonylamino]phenyl]-2-propenehydroximic acid
CID 22986786

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide (CID 11406292) is (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is COc1ccc(S(=O)(=O)Nc2cccc(/C=C/C(=O)NO)c2)cc1OC.
What is the InChIKey of (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is SXEVGKZLFXWXHJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-24-15-8-7-14(11-16(15)25-2)26(22,23)19-13-5-3-4-12(10-13)6-9-17(20)18-21/h3-11,19,21H,1-2H3,(H,18,20)/b9-6+.
What are the key properties of (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 378.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11406292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).