N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide

C18H21N3O5S — CID 2204256

IUPACN'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C18H21N3O5S/c1-13-7-9-21(10-8-13)27(24,25)15-5-2-4-14(12-15)17(22)19-20-18(23)16-6-3-11-26-16/h2-6,11-13H,7-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyMMTALRHQEGSOLZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.77
Rot. Bonds4

About N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide

N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide (PubChem CID 2204256) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide
PubChem CID2204256
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide
SMILESCC1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccco3)c2)CC1
InChIInChI=1S/C18H21N3O5S/c1-13-7-9-21(10-8-13)27(24,25)15-5-2-4-14(12-15)17(22)19-20-18(23)16-6-3-11-26-16/h2-6,11-13H,7-10H2,1H3,(H,19,22)(H,20,23)
InChIKeyMMTALRHQEGSOLZ-UHFFFAOYSA-N
XLogP1.77
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide (CID 2204256) is N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide is CC1CCN(S(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccco3)c2)CC1.
What is the InChIKey of N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide?
The InChIKey is MMTALRHQEGSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-13-7-9-21(10-8-13)27(24,25)15-5-2-4-14(12-15)17(22)19-20-18(23)16-6-3-11-26-16/h2-6,11-13H,7-10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide?
N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide has a molecular weight of 391.45 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]furan-2-carbohydrazide is sourced from PubChem (CID 2204256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).