N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide

C18H18F2N4O4S — CID 71850153

IUPACN'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)NNCc3cc(F)ccc3F)cc2)CCN1
InChIInChI=1S/C18H18F2N4O4S/c19-14-3-6-16(20)13(9-14)10-22-23-18(26)12-1-4-15(5-2-12)29(27,28)24-8-7-21-17(25)11-24/h1-6,9,22H,7-8,10-11H2,(H,21,25)(H,23,26)
InChIKeyZFNJWXKTFVQGBO-UHFFFAOYSA-N
MW424.43 g/mol
LogP0.52
Rot. Bonds6

About N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide

N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide (PubChem CID 71850153) has the molecular formula C18H18F2N4O4S and a molecular weight of 424.43 g/mol. Its IUPAC name is N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide
PubChem CID71850153
Molecular FormulaC18H18F2N4O4S
Molecular Weight424.43 g/mol
Exact Mass424.10
IUPAC NameN'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide
SMILESO=C1CN(S(=O)(=O)c2ccc(C(=O)NNCc3cc(F)ccc3F)cc2)CCN1
InChIInChI=1S/C18H18F2N4O4S/c19-14-3-6-16(20)13(9-14)10-22-23-18(26)12-1-4-15(5-2-12)29(27,28)24-8-7-21-17(25)11-24/h1-6,9,22H,7-8,10-11H2,(H,21,25)(H,23,26)
InChIKeyZFNJWXKTFVQGBO-UHFFFAOYSA-N
XLogP0.52
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31856760
N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559568
N-[[3-(methoxymethyl)phenyl]methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55727586
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 119457140
N-(4-aminocyclohexyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119476514
4-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 31883493
(2S)-3-methyl-2-[[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butanoic acid
CID 119360362
N-(4-anilinophenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31983039
N-(2,3-dihydro-1H-inden-5-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 31898842
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119573926
N-(2-chloro-4-fluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559777
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide (CID 71850153) is N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide is O=C1CN(S(=O)(=O)c2ccc(C(=O)NNCc3cc(F)ccc3F)cc2)CCN1.
What is the InChIKey of N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide?
The InChIKey is ZFNJWXKTFVQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O4S/c19-14-3-6-16(20)13(9-14)10-22-23-18(26)12-1-4-15(5-2-12)29(27,28)24-8-7-21-17(25)11-24/h1-6,9,22H,7-8,10-11H2,(H,21,25)(H,23,26).
What are the key properties of N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide?
N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide has a molecular weight of 424.43 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-difluorophenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 71850153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).