3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide

C19H19FN4O4S2 — CID 175702234

IUPAC3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1sc2ccccc2c1S(=O)(=O)Nc1cc(F)cnc1N1CCCCC1
InChIInChI=1S/C19H19FN4O4S2/c20-12-10-14(18(21-11-12)24-8-4-1-5-9-24)23-30(27,28)17-13-6-2-3-7-15(13)29-16(17)19(25)22-26/h2-3,6-7,10-11,23,26H,1,4-5,8-9H2,(H,22,25)
InChIKeyIZOJDOVHIFDCSZ-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.35
Rot. Bonds5

About 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide

3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 175702234) has the molecular formula C19H19FN4O4S2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID175702234
Molecular FormulaC19H19FN4O4S2
Molecular Weight450.52 g/mol
Exact Mass450.08
IUPAC Name3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1sc2ccccc2c1S(=O)(=O)Nc1cc(F)cnc1N1CCCCC1
InChIInChI=1S/C19H19FN4O4S2/c20-12-10-14(18(21-11-12)24-8-4-1-5-9-24)23-30(27,28)17-13-6-2-3-7-15(13)29-16(17)19(25)22-26/h2-3,6-7,10-11,23,26H,1,4-5,8-9H2,(H,22,25)
InChIKeyIZOJDOVHIFDCSZ-UHFFFAOYSA-N
XLogP3.35
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]sulfamoyl]-N-hydroxy-1-benzofuran-2-carboxamide
CID 155233706
methyl 3-[(2,4-difluorophenyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 20944583
6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056795
3-(1,3,4-thiadiazol-2-ylsulfamoyl)-1-benzothiophene-2-carboxylic acid
CID 63888948
methyl 3-piperidin-1-ylsulfonyl-1-benzothiophene-2-carboxylate
CID 20944590
N-(5-fluoro-2-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 164677875
5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53056820
3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 32948486
2-(azocan-1-yl)-5-[(4-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024789
4-fluoro-N-[5-(2-methylpiperidine-1-carbonyl)-2-piperazin-1-yl-3-pyridinyl]benzenesulfonamide
CID 50828224
2-(azocan-1-yl)-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054712
5-(benzenesulfonamido)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146071260

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide (CID 175702234) is 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1sc2ccccc2c1S(=O)(=O)Nc1cc(F)cnc1N1CCCCC1.
What is the InChIKey of 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is IZOJDOVHIFDCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4S2/c20-12-10-14(18(21-11-12)24-8-4-1-5-9-24)23-30(27,28)17-13-6-2-3-7-15(13)29-16(17)19(25)22-26/h2-3,6-7,10-11,23,26H,1,4-5,8-9H2,(H,22,25).
What are the key properties of 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide?
3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 175702234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).