4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide

C17H21FN2O3S — CID 122187896

IUPAC4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NS(=O)(=O)c1ccccc1F)C(C3)C2
InChIInChI=1S/C17H21FN2O3S/c18-13-3-1-2-4-14(13)24(22,23)20-15-11-5-10-6-12(15)9-17(7-10,8-11)16(19)21/h1-4,10-12,15,20H,5-9H2,(H2,19,21)
InChIKeyWWZPBPZNLUCGFA-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.78
Rot. Bonds4

About 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide

4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide (PubChem CID 122187896) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide
PubChem CID122187896
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC Name4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(NS(=O)(=O)c1ccccc1F)C(C3)C2
InChIInChI=1S/C17H21FN2O3S/c18-13-3-1-2-4-14(13)24(22,23)20-15-11-5-10-6-12(15)9-17(7-10,8-11)16(19)21/h1-4,10-12,15,20H,5-9H2,(H2,19,21)
InChIKeyWWZPBPZNLUCGFA-UHFFFAOYSA-N
XLogP1.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide (CID 122187896) is 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(NS(=O)(=O)c1ccccc1F)C(C3)C2.
What is the InChIKey of 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide?
The InChIKey is WWZPBPZNLUCGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c18-13-3-1-2-4-14(13)24(22,23)20-15-11-5-10-6-12(15)9-17(7-10,8-11)16(19)21/h1-4,10-12,15,20H,5-9H2,(H2,19,21).
What are the key properties of 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide?
4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfonylamino]adamantane-1-carboxamide is sourced from PubChem (CID 122187896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).