7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H16ClFN2O4S — CID 56933017

IUPAC7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1cc2c(cc1F)CCC(NS(=O)(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C17H16ClFN2O4S/c18-12-2-1-3-14(9-12)26(24,25)21-13-5-4-10-8-16(19)15(17(22)20-23)7-11(10)6-13/h1-3,7-9,13,21,23H,4-6H2,(H,20,22)
InChIKeyXDXDDYHADXAFDK-UHFFFAOYSA-N
MW398.84 g/mol
LogP2.43
Rot. Bonds4

About 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 56933017) has the molecular formula C17H16ClFN2O4S and a molecular weight of 398.84 g/mol. Its IUPAC name is 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID56933017
Molecular FormulaC17H16ClFN2O4S
Molecular Weight398.84 g/mol
Exact Mass398.05
IUPAC Name7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1cc2c(cc1F)CCC(NS(=O)(=O)c1cccc(Cl)c1)C2
InChIInChI=1S/C17H16ClFN2O4S/c18-12-2-1-3-14(9-12)26(24,25)21-13-5-4-10-8-16(19)15(17(22)20-23)7-11(10)6-13/h1-3,7-9,13,21,23H,4-6H2,(H,20,22)
InChIKeyXDXDDYHADXAFDK-UHFFFAOYSA-N
XLogP2.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 52.43
H-Bond Donors ≤ 53
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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Related Compounds

3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212
5-chloro-N-[4-(cyclopentylsulfamoyl)phenyl]-2-fluorobenzamide
CID 119045142
5-(cyclopentylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190475
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
3-[[(5-chloro-2-hydroxybenzoyl)amino]carbamoyl]-N-cyclopentylbenzenesulfonamide
CID 55585755
N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
5-(cyclohexylsulfamoyl)-N-(3,5-dichlorophenyl)-2-fluorobenzamide
CID 4190474
N-(3-chloro-2-methylphenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 3452162
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519
4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 173275861

Frequently Asked Questions

What is the IUPAC name of 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 56933017) is 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NO)c1cc2c(cc1F)CCC(NS(=O)(=O)c1cccc(Cl)c1)C2.
What is the InChIKey of 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XDXDDYHADXAFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S/c18-12-2-1-3-14(9-12)26(24,25)21-13-5-4-10-8-16(19)15(17(22)20-23)7-11(10)6-13/h1-3,7-9,13,21,23H,4-6H2,(H,20,22).
What are the key properties of 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 398.84 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 56933017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).