(E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide

C16H13N3O4S — CID 90676510

IUPAC(E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)n2ccc3cccnc32)cc1)NO
InChIInChI=1S/C16H13N3O4S/c20-15(18-21)8-5-12-3-6-14(7-4-12)24(22,23)19-11-9-13-2-1-10-17-16(13)19/h1-11,21H,(H,18,20)/b8-5+
InChIKeyQCJNCGGPRNOTNW-VMPITWQZSA-N
MW343.36 g/mol
LogP1.79
Rot. Bonds4

About (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide

(E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 90676510) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID90676510
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name(E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(S(=O)(=O)n2ccc3cccnc32)cc1)NO
InChIInChI=1S/C16H13N3O4S/c20-15(18-21)8-5-12-3-6-14(7-4-12)24(22,23)19-11-9-13-2-1-10-17-16(13)19/h1-11,21H,(H,18,20)/b8-5+
InChIKeyQCJNCGGPRNOTNW-VMPITWQZSA-N
XLogP1.79
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
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

1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 69081244
1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 166595155
(E)-3-[4-[[bis(2-pyrrolo[2,3-b]pyridin-1-ylethyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579462
N-hydroxy-3-quinolin-6-ylprop-2-enamide
CID 85112903
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
tert-butyl 3-[4-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]prop-2-enoate
CID 123993384
3-[1-(4-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enoic acid
CID 123264890
(E)-3-[1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enoic acid
CID 140775758
N-hydroxy-3-[4-(naphthalen-2-ylsulfonylamino)phenyl]prop-2-enamide
CID 74014271
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-N-hydroxy-3-[1-[4-[(pyridin-4-ylmethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]prop-2-enamide
CID 11538842
(E)-3-[1-[4-(6-amino-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
CID 15985848

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide (CID 90676510) is (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(S(=O)(=O)n2ccc3cccnc32)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is QCJNCGGPRNOTNW-VMPITWQZSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-15(18-21)8-5-12-3-6-14(7-4-12)24(22,23)19-11-9-13-2-1-10-17-16(13)19/h1-11,21H,(H,18,20)/b8-5+.
What are the key properties of (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide?
(E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 343.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(4-pyrrolo[2,3-b]pyridin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 90676510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).