N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide

C23H25F3N4O4S — CID 134130010

IUPACN-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C23H25F3N4O4S/c1-16-6-8-17(9-7-16)20-15-21(23(24,25)26)28-30(20)18-10-12-19(13-11-18)35(33,34)27-14-4-2-3-5-22(31)29-32/h6-13,15,27,32H,2-5,14H2,1H3,(H,29,31)
InChIKeyWXAQQLMBKHXMFP-UHFFFAOYSA-N
MW510.54 g/mol
LogP4.21
Rot. Bonds10

About N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide

N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide (PubChem CID 134130010) has the molecular formula C23H25F3N4O4S and a molecular weight of 510.54 g/mol. Its IUPAC name is N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide
PubChem CID134130010
Molecular FormulaC23H25F3N4O4S
Molecular Weight510.54 g/mol
Exact Mass510.15
IUPAC NameN-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NCCCCCC(=O)NO)cc2)cc1
InChIInChI=1S/C23H25F3N4O4S/c1-16-6-8-17(9-7-16)20-15-21(23(24,25)26)28-30(20)18-10-12-19(13-11-18)35(33,34)27-14-4-2-3-5-22(31)29-32/h6-13,15,27,32H,2-5,14H2,1H3,(H,29,31)
InChIKeyWXAQQLMBKHXMFP-UHFFFAOYSA-N
XLogP4.21
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.54
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 2662
4-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
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4-[5-(4-Ethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9908677
4-[5-(4-Methylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10135355
4-(5-p-Tolyl-3-{3-[3-(3-trifluoromethyl-phenyl)-ureido]-propyl}-pyrazol-1-yl)-benzenesulfonamide
CID 52951736
1-(4-Aminosulfonylphenyl)-3-(p-tolyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15h)
CID 118855482
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 132547258
N-hydroxy-7-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]heptanamide
CID 132547259
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 134129876
N-[6-(hydroxyamino)-6-oxohexyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 134129994
N-[8-(hydroxyamino)-8-oxooctyl]-5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 134130165
N-hydroxy-8-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]octanamide
CID 134131102

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide?
The IUPAC name of N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide (CID 134130010) is N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide.
What is the SMILES notation for N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide?
The canonical SMILES for N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(=O)(=O)NCCCCCC(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide?
The InChIKey is WXAQQLMBKHXMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4S/c1-16-6-8-17(9-7-16)20-15-21(23(24,25)26)28-30(20)18-10-12-19(13-11-18)35(33,34)27-14-4-2-3-5-22(31)29-32/h6-13,15,27,32H,2-5,14H2,1H3,(H,29,31).
What are the key properties of N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide?
N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide has a molecular weight of 510.54 g/mol, XLogP of 4.21, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylamino]hexanamide is sourced from PubChem (CID 134130010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).