7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H17F2NO4S — CID 158319382

IUPAC7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(CS(=O)(=O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C18H17F2NO4S/c19-15-5-6-17(16(20)9-15)26(24,25)10-11-1-2-12-3-4-13(18(22)21-23)8-14(12)7-11/h3-6,8-9,11,23H,1-2,7,10H2,(H,21,22)
InChIKeyGOQPODASBLEZDV-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.66
Rot. Bonds4

About 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 158319382) has the molecular formula C18H17F2NO4S and a molecular weight of 381.40 g/mol. Its IUPAC name is 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID158319382
Molecular FormulaC18H17F2NO4S
Molecular Weight381.40 g/mol
Exact Mass381.08
IUPAC Name7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(CS(=O)(=O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C18H17F2NO4S/c19-15-5-6-17(16(20)9-15)26(24,25)10-11-1-2-12-3-4-13(18(22)21-23)8-14(12)7-11/h3-6,8-9,11,23H,1-2,7,10H2,(H,21,22)
InChIKeyGOQPODASBLEZDV-UHFFFAOYSA-N
XLogP2.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 158319382) is 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NO)c1ccc2c(c1)CC(CS(=O)(=O)c1ccc(F)cc1F)CC2.
What is the InChIKey of 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GOQPODASBLEZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO4S/c19-15-5-6-17(16(20)9-15)26(24,25)10-11-1-2-12-3-4-13(18(22)21-23)8-14(12)7-11/h3-6,8-9,11,23H,1-2,7,10H2,(H,21,22).
What are the key properties of 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-difluorophenyl)sulfonylmethyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 158319382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).