N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride

C22H26ClN3O5S — CID 159072100

IUPACN-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCC(C)CC#Cc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.Cl
InChIInChI=1S/C22H25N3O5S.ClH/c1-16(2)4-3-5-18-14-24-20(15-23-18)17-6-8-19(9-7-17)31(28,29)22(21(26)25-27)10-12-30-13-11-22;/h6-9,14-16,27H,4,10-13H2,1-2H3,(H,25,26);1H
InChIKeyDMBUIZKZCCKRRJ-UHFFFAOYSA-N
MW479.99 g/mol
LogP2.79
Rot. Bonds5

About N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride

N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (PubChem CID 159072100) has the molecular formula C22H26ClN3O5S and a molecular weight of 479.99 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
PubChem CID159072100
Molecular FormulaC22H26ClN3O5S
Molecular Weight479.99 g/mol
Exact Mass479.13
IUPAC NameN-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCC(C)CC#Cc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.Cl
InChIInChI=1S/C22H25N3O5S.ClH/c1-16(2)4-3-5-18-14-24-20(15-23-18)17-6-8-19(9-7-17)31(28,29)22(21(26)25-27)10-12-30-13-11-22;/h6-9,14-16,27H,4,10-13H2,1-2H3,(H,25,26);1H
InChIKeyDMBUIZKZCCKRRJ-UHFFFAOYSA-N
XLogP2.79
TPSA118.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 52.79
H-Bond Donors ≤ 52
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[5-(2-cyclopropylethyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10410493
4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10252300
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
4-[4-[5-(cyclobutylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(2-cyclopentylethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(2-cyclopropylethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 158230800
4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-1-ethyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride
CID 169425851
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CID 158934019
N-hydroxy-4-(4-phenylsulfanylphenyl)sulfonyloxane-4-carboxamide
CID 22485342
1-cyclopropyl-4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxypiperidine-4-carboxamide;dihydrochloride
CID 162334793
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162309468
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-4-[4-[6-[methyl(prop-2-ynyl)carbamoyl]naphthalen-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 11755916

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (CID 159072100) is N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is CC(C)CC#Cc1cnc(-c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.Cl.
What is the InChIKey of N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The InChIKey is DMBUIZKZCCKRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S.ClH/c1-16(2)4-3-5-18-14-24-20(15-23-18)17-6-8-19(9-7-17)31(28,29)22(21(26)25-27)10-12-30-13-11-22;/h6-9,14-16,27H,4,10-13H2,1-2H3,(H,25,26);1H.
What are the key properties of N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride has a molecular weight of 479.99 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(4-methylpent-1-ynyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 159072100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).