N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide

C20H26FN3O4S — CID 27550113

IUPACN-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26FN3O4S/c21-16-3-1-2-4-17(16)29(27,28)22-6-5-18(25)23-24-19(26)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15,22H,5-12H2,(H,23,25)(H,24,26)
InChIKeyRHLIKYGYSLODLG-UHFFFAOYSA-N
MW423.51 g/mol
LogP1.86
Rot. Bonds6

About N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide

N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide (PubChem CID 27550113) has the molecular formula C20H26FN3O4S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide
PubChem CID27550113
Molecular FormulaC20H26FN3O4S
Molecular Weight423.51 g/mol
Exact Mass423.16
IUPAC NameN-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26FN3O4S/c21-16-3-1-2-4-17(16)29(27,28)22-6-5-18(25)23-24-19(26)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15,22H,5-12H2,(H,23,25)(H,24,26)
InChIKeyRHLIKYGYSLODLG-UHFFFAOYSA-N
XLogP1.86
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide
CID 30532106
N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119385406
N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide
CID 29425150
2-[3-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350084
N-[3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzenesulfonamide
CID 34056933
N'-[3-(4-fluorophenyl)sulfanylpropanoyl]adamantane-1-carbohydrazide
CID 7978661
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119499471
N'-[3-(4-fluoro-3-oxo-1,2-benzothiazol-2-yl)propanoyl]adamantane-1-carbohydrazide
CID 118717387
3-[(2-fluorophenyl)sulfonylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]propanamide
CID 25481946
N-(3-aminobutyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119499470
N'-butanoyladamantane-1-carbohydrazide
CID 24538351
2-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119403723

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide (CID 27550113) is N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide?
The InChIKey is RHLIKYGYSLODLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O4S/c21-16-3-1-2-4-17(16)29(27,28)22-6-5-18(25)23-24-19(26)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15,22H,5-12H2,(H,23,25)(H,24,26).
What are the key properties of N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide?
N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide has a molecular weight of 423.51 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 27550113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).