2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide

C29H31F3N8O8S4 — CID 159120760

IUPAC2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1.O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1
InChIInChI=1S/C15H17FN4O4S2.C14H14F2N4O4S2/c1-10-8-11(16)2-3-13(10)26(23,24)20-6-4-19(5-7-20)15-17-9-12(25-15)14(21)18-22;15-10-2-1-9(7-11(10)16)26(23,24)20-5-3-19(4-6-20)14-17-8-12(25-14)13(21)18-22/h2-3,8-9,22H,4-7H2,1H3,(H,18,21);1-2,7-8,22H,3-6H2,(H,18,21)
InChIKeyKFQXWIDITIMUKS-UHFFFAOYSA-N
MW804.88 g/mol
LogP2.27
Rot. Bonds8

About 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 159120760) has the molecular formula C29H31F3N8O8S4 and a molecular weight of 804.88 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID159120760
Molecular FormulaC29H31F3N8O8S4
Molecular Weight804.88 g/mol
Exact Mass804.11
IUPAC Name2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1.O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1
InChIInChI=1S/C15H17FN4O4S2.C14H14F2N4O4S2/c1-10-8-11(16)2-3-13(10)26(23,24)20-6-4-19(5-7-20)15-17-9-12(25-15)14(21)18-22;15-10-2-1-9(7-11(10)16)26(23,24)20-5-3-19(4-6-20)14-17-8-12(25-14)13(21)18-22/h2-3,8-9,22H,4-7H2,1H3,(H,18,21);1-2,7-8,22H,3-6H2,(H,18,21)
InChIKeyKFQXWIDITIMUKS-UHFFFAOYSA-N
XLogP2.27
TPSA205.68 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.88
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole
CID 133351883
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 46633054
N-hydroxy-2-[4-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide;hydrochloride
CID 157389142
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
methyl 4-(4-fluoro-2-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818500
1-(5-bromo-3-methyl-2-pyridinyl)-4-(2,5-difluorophenyl)sulfonylpiperazine
CID 133373089
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
5-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 126797435
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 26530634
2-[4-[2-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]phenyl]sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;hydroxylamine
CID 172831440
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide (CID 159120760) is 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2ncc(C(=O)NO)s2)CC1.O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)s1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is KFQXWIDITIMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O4S2.C14H14F2N4O4S2/c1-10-8-11(16)2-3-13(10)26(23,24)20-6-4-19(5-7-20)15-17-9-12(25-15)14(21)18-22;15-10-2-1-9(7-11(10)16)26(23,24)20-5-3-19(4-6-20)14-17-8-12(25-14)13(21)18-22/h2-3,8-9,22H,4-7H2,1H3,(H,18,21);1-2,7-8,22H,3-6H2,(H,18,21).
What are the key properties of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide?
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 804.88 g/mol, XLogP of 2.27, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 159120760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).