3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide

C17H16N2O4S — CID 154235698

IUPAC3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NO
InChIInChI=1S/C17H16N2O4S/c20-17(18-21)9-8-13-4-3-6-15(12-13)24(22,23)19-11-10-14-5-1-2-7-16(14)19/h1-9,12,21H,10-11H2,(H,18,20)
InChIKeyOPQDOJTZPSIKAK-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.96
Rot. Bonds4

About 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide

3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide (PubChem CID 154235698) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
PubChem CID154235698
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NO
InChIInChI=1S/C17H16N2O4S/c20-17(18-21)9-8-13-4-3-6-15(12-13)24(22,23)19-11-10-14-5-1-2-7-16(14)19/h1-9,12,21H,10-11H2,(H,18,20)
InChIKeyOPQDOJTZPSIKAK-UHFFFAOYSA-N
XLogP1.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(Z)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
CID 167108218
(E)-3-(4-bromophenyl)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
CID 137433207
(E)-N-cyclopropyl-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enamide
CID 17390889
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 73382048
N-hydroxy-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 90827276
(E)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1291625
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
(E)-N-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17176205
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869
3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-N-hydroxyprop-2-enamide
CID 74374103
(E)-3-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-6-yl]-N-hydroxyprop-2-enamide
CID 24962104

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide (CID 154235698) is 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide is O=C(C=Cc1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NO.
What is the InChIKey of 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is OPQDOJTZPSIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c20-17(18-21)9-8-13-4-3-6-15(12-13)24(22,23)19-11-10-14-5-1-2-7-16(14)19/h1-9,12,21H,10-11H2,(H,18,20).
What are the key properties of 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide?
3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 344.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 154235698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).