N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide

C11H12FN3O4S — CID 8841180

IUPACN-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESC1CC1NC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F
InChIInChI=1S/C11H12FN3O4S/c12-7-1-5-9(6-2-7)20(18,19)15-14-11(17)10(16)13-8-3-4-8/h1-2,5-6,8,15H,3-4H2,(H,13,16)(H,14,17)
InChIKeyQCUVPUBJNDPGJX-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.30
Rot. Bonds4

About N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide

N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide (PubChem CID 8841180) has the molecular formula C11H12FN3O4S and a molecular weight of 301.30 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
PubChem CID8841180
Molecular FormulaC11H12FN3O4S
Molecular Weight301.30 g/mol
Exact Mass301.05
IUPAC NameN-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
SMILESC1CC1NC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F
InChIInChI=1S/C11H12FN3O4S/c12-7-1-5-9(6-2-7)20(18,19)15-14-11(17)10(16)13-8-3-4-8/h1-2,5-6,8,15H,3-4H2,(H,13,16)(H,14,17)
InChIKeyQCUVPUBJNDPGJX-UHFFFAOYSA-N
XLogP1.30
TPSA113.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity478

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
N-cyclopentyl-N~2~-ethyl-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2985558
N-Cyclopropyl-2-(N-ethylbenzenesulfonamido)acetamide
CID 2985758
N-allyl-2-{[(4-fluorophenyl)sulfonyl]amino}acetamide
CID 1797604
2-{cyclohexyl[(4-fluorophenyl)sulfonyl]amino}-N-cyclopropylacetamide
CID 1160764
2-[[(4-fluorophenyl)sulfonyl](methyl)amino]-N-propylacetamide
CID 1750408
2-(N-Methyl4-fluorobenzenesulfonamido)-N-(propan-2-YL)acetamide
CID 2430772
N~2~-[(4-fluorophenyl)sulfonyl]-N~1~-methylalaninamide
CID 2964497
2-(benzenesulfonamido)-N-(2-hydrazinyl-2-oxoethyl)acetamide
CID 3101214
N-cyclopropyl-N~2~-methyl-N~2~-(phenylsulfonyl)glycinamide
CID 892330
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 6468167
N-cyclopropyl-2-{4-[(4-fluorophenyl)sulfonyl]piperazinyl}acetamide
CID 6470268

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide (CID 8841180) is N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide is C1CC1NC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)F.
What is the InChIKey of N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide?
The InChIKey is QCUVPUBJNDPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4S/c12-7-1-5-9(6-2-7)20(18,19)15-14-11(17)10(16)13-8-3-4-8/h1-2,5-6,8,15H,3-4H2,(H,13,16)(H,14,17).
What are the key properties of N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide?
N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide has a molecular weight of 301.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 8841180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).