4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride

C19H21ClF2N2O5S2 — CID 158016230

IUPAC4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(SC(F)F)cc3)cc2)CCNCC1
InChIInChI=1S/C19H20F2N2O5S2.ClH/c20-18(21)29-15-5-1-13(2-6-15)28-14-3-7-16(8-4-14)30(26,27)19(17(24)23-25)9-11-22-12-10-19;/h1-8,18,22,25H,9-12H2,(H,23,24);1H
InChIKeyOOPHTIFEMWGEDC-UHFFFAOYSA-N
MW494.97 g/mol
LogP3.62
Rot. Bonds7

About 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride

4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride (PubChem CID 158016230) has the molecular formula C19H21ClF2N2O5S2 and a molecular weight of 494.97 g/mol. Its IUPAC name is 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
PubChem CID158016230
Molecular FormulaC19H21ClF2N2O5S2
Molecular Weight494.97 g/mol
Exact Mass494.05
IUPAC Name4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(SC(F)F)cc3)cc2)CCNCC1
InChIInChI=1S/C19H20F2N2O5S2.ClH/c20-18(21)29-15-5-1-13(2-6-15)28-14-3-7-16(8-4-14)30(26,27)19(17(24)23-25)9-11-22-12-10-19;/h1-8,18,22,25H,9-12H2,(H,23,24);1H
InChIKeyOOPHTIFEMWGEDC-UHFFFAOYSA-N
XLogP3.62
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.97
LogP ≤ 53.62
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

4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide
CID 10938505
N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 22485386
3-[4-[4-(difluoromethoxy)phenoxy]phenyl]sulfonyl-N-hydroxy-8-azaspiro[4.5]decane-3-carboxamide
CID 118179870
N-hydroxy-4-[4-(N-methylanilino)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172705888
N-hydroxy-3-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1-oxa-8-azaspiro[4.5]decane-3-carboxamide
CID 118179844
N-hydroxy-1-methyl-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 11589972
N-hydroxy-1-propan-2-yl-4-[4-(4-propan-2-yloxyphenoxy)phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172866930
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 172742819
N-hydroxy-4-[4-(4-methoxyphenoxy)phenyl]sulfonyl-1,1-dioxothiane-4-carboxamide
CID 22707846
N-(2-hydroxy-2-methoxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;sulfuric acid
CID 70091600
tert-butyl 4-(hydroxycarbamoyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-1-carboxylate;hydrochloride
CID 11598734
ethyl 4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxylate;hydrochloride
CID 46938824

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride (CID 158016230) is 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride is Cl.O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(SC(F)F)cc3)cc2)CCNCC1.
What is the InChIKey of 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is OOPHTIFEMWGEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O5S2.ClH/c20-18(21)29-15-5-1-13(2-6-15)28-14-3-7-16(8-4-14)30(26,27)19(17(24)23-25)9-11-22-12-10-19;/h1-8,18,22,25H,9-12H2,(H,23,24);1H.
What are the key properties of 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride?
4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 494.97 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(difluoromethylsulfanyl)phenoxy]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 158016230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).