N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide

C26H30FN3O4S — CID 30532106

IUPACN-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C26H30FN3O4S/c27-21-8-4-5-9-23(21)35(33,34)30-22(13-17-6-2-1-3-7-17)24(31)28-29-25(32)26-14-18-10-19(15-26)12-20(11-18)16-26/h1-9,18-20,22,30H,10-16H2,(H,28,31)(H,29,32)/t18?,19?,20?,22-,26?/m1/s1
InChIKeySKVZBPFBYXWNAD-ZVUJHCQASA-N
MW499.61 g/mol
LogP3.08
Rot. Bonds7

About N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide

N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 30532106) has the molecular formula C26H30FN3O4S and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide
PubChem CID30532106
Molecular FormulaC26H30FN3O4S
Molecular Weight499.61 g/mol
Exact Mass499.19
IUPAC NameN-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C26H30FN3O4S/c27-21-8-4-5-9-23(21)35(33,34)30-22(13-17-6-2-1-3-7-17)24(31)28-29-25(32)26-14-18-10-19(15-26)12-20(11-18)16-26/h1-9,18-20,22,30H,10-16H2,(H,28,31)(H,29,32)/t18?,19?,20?,22-,26?/m1/s1
InChIKeySKVZBPFBYXWNAD-ZVUJHCQASA-N
XLogP3.08
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide (CID 30532106) is N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is SKVZBPFBYXWNAD-ZVUJHCQASA-N. The full InChI is InChI=1S/C26H30FN3O4S/c27-21-8-4-5-9-23(21)35(33,34)30-22(13-17-6-2-1-3-7-17)24(31)28-29-25(32)26-14-18-10-19(15-26)12-20(11-18)16-26/h1-9,18-20,22,30H,10-16H2,(H,28,31)(H,29,32)/t18?,19?,20?,22-,26?/m1/s1.
What are the key properties of N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide?
N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 499.61 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 30532106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).