N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide

C20H22BrN3O4S — CID 2953885

IUPACN'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C20H22BrN3O4S/c1-14-9-11-24(12-10-14)29(27,28)18-4-2-3-16(13-18)20(26)23-22-19(25)15-5-7-17(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyYPGPOKRUZMLWHC-UHFFFAOYSA-N
MW480.38 g/mol
LogP2.94
Rot. Bonds4

About N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide

N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide (PubChem CID 2953885) has the molecular formula C20H22BrN3O4S and a molecular weight of 480.38 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
PubChem CID2953885
Molecular FormulaC20H22BrN3O4S
Molecular Weight480.38 g/mol
Exact Mass479.05
IUPAC NameN'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C20H22BrN3O4S/c1-14-9-11-24(12-10-14)29(27,28)18-4-2-3-16(13-18)20(26)23-22-19(25)15-5-7-17(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyYPGPOKRUZMLWHC-UHFFFAOYSA-N
XLogP2.94
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N'-(4-bromobenzoyl)benzohydrazide
CID 25163191
N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 50947164
3-(4-methylpiperidin-1-yl)sulfonyl-N-pentylbenzamide
CID 109063454
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1326475
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 7260135
3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 23821912
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N-(4-bromophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1250095
N-ethyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 3241862
3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide (CID 2953885) is N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide is CC1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Br)cc3)c2)CC1.
What is the InChIKey of N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
The InChIKey is YPGPOKRUZMLWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O4S/c1-14-9-11-24(12-10-14)29(27,28)18-4-2-3-16(13-18)20(26)23-22-19(25)15-5-7-17(21)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide?
N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide has a molecular weight of 480.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 2953885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).