N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide

C17H20F2N2O3S — CID 29425150

IUPACN'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1c(F)cccc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20F2N2O3S/c18-13-2-1-3-14(19)15(13)25(23,24)21-20-16(22)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,21H,4-9H2,(H,20,22)
InChIKeyBEELVSWMTBMPSM-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.49
Rot. Bonds4

About N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide

N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide (PubChem CID 29425150) has the molecular formula C17H20F2N2O3S and a molecular weight of 370.42 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide
PubChem CID29425150
Molecular FormulaC17H20F2N2O3S
Molecular Weight370.42 g/mol
Exact Mass370.12
IUPAC NameN'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1c(F)cccc1F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20F2N2O3S/c18-13-2-1-3-14(19)15(13)25(23,24)21-20-16(22)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,21H,4-9H2,(H,20,22)
InChIKeyBEELVSWMTBMPSM-UHFFFAOYSA-N
XLogP2.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide 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

[(2,6-difluorophenyl)sulfonylamino]urea
CID 140574542
N-[3-[2-(adamantane-1-carbonyl)hydrazinyl]-3-oxopropyl]-2-fluorobenzenesulfonamide
CID 27550113
methyl N-[(2,6-difluorophenyl)sulfonylamino]carbamate
CID 8501038
ethyl 4-[(adamantane-1-carbonylamino)sulfamoyl]benzoate
CID 4248662
N-[(2R)-1-[2-(adamantane-1-carbonyl)hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide
CID 30532106
N'-(3-hydroxybenzoyl)adamantane-1-carbohydrazide
CID 3146003
N-[(2-chloro-6-fluorophenyl)methylideneamino]adamantane-1-carboxamide
CID 4683119
1-[(2,6-difluorophenyl)sulfonylamino]-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 11718604
N-(3-hydroxyphenyl)adamantane-1-carboxamide
CID 4623893
N'-[3-(4-fluoro-3-oxo-1,2-benzothiazol-2-yl)propanoyl]adamantane-1-carbohydrazide
CID 118717387
N-[2-[3-[(2-fluorophenyl)sulfamoyl]anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 4826830
N'-(2-chlorophenyl)adamantane-1-carbohydrazide
CID 24864649

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide?
The IUPAC name of N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide (CID 29425150) is N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide.
What is the SMILES notation for N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide?
The canonical SMILES for N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide is O=C(NNS(=O)(=O)c1c(F)cccc1F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide?
The InChIKey is BEELVSWMTBMPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3S/c18-13-2-1-3-14(19)15(13)25(23,24)21-20-16(22)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12,21H,4-9H2,(H,20,22).
What are the key properties of N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide?
N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide has a molecular weight of 370.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)sulfonyladamantane-1-carbohydrazide is sourced from PubChem (CID 29425150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).