4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide

C19H20ClFN4O4S — CID 5121585

IUPAC4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN4O4S/c20-15-7-5-14(6-8-15)19(27)23-22-18(26)13-24-9-11-25(12-10-24)30(28,29)17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,22,26)(H,23,27)
InChIKeyXWBKTFGUXSVDPV-UHFFFAOYSA-N
MW454.91 g/mol
LogP1.25
Rot. Bonds5

About 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide

4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide (PubChem CID 5121585) has the molecular formula C19H20ClFN4O4S and a molecular weight of 454.91 g/mol. Its IUPAC name is 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
PubChem CID5121585
Molecular FormulaC19H20ClFN4O4S
Molecular Weight454.91 g/mol
Exact Mass454.09
IUPAC Name4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClFN4O4S/c20-15-7-5-14(6-8-15)19(27)23-22-18(26)13-24-9-11-25(12-10-24)30(28,29)17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,22,26)(H,23,27)
InChIKeyXWBKTFGUXSVDPV-UHFFFAOYSA-N
XLogP1.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 51.25
H-Bond Donors ≤ 52
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-(2,6-dichlorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 3910808
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylacetamide
CID 8749460
methyl N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 8749312
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 17448409
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 27185152
N-(cyclopentylcarbamoyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8749172
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 8749430
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353743
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 24587410
4-fluoro-N'-(2-phenylacetyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 26863667
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353744
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8749332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide (CID 5121585) is 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide is O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide?
The InChIKey is XWBKTFGUXSVDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O4S/c20-15-7-5-14(6-8-15)19(27)23-22-18(26)13-24-9-11-25(12-10-24)30(28,29)17-4-2-1-3-16(17)21/h1-8H,9-13H2,(H,22,26)(H,23,27).
What are the key properties of 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide?
4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide has a molecular weight of 454.91 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 5121585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).