N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide

C23H25FN2O3S — CID 4147010

IUPACN-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C23H25FN2O3S/c24-20-6-1-2-7-21(20)26-30(28,29)19-5-3-4-18(11-19)22(27)25-23-12-15-8-16(13-23)10-17(9-15)14-23/h1-7,11,15-17,26H,8-10,12-14H2,(H,25,27)
InChIKeySTIFVRKBCFCHJE-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.33
Rot. Bonds5

About N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide

N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 4147010) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID4147010
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC NameN-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C23H25FN2O3S/c24-20-6-1-2-7-21(20)26-30(28,29)19-5-3-4-18(11-19)22(27)25-23-12-15-8-16(13-23)10-17(9-15)14-23/h1-7,11,15-17,26H,8-10,12-14H2,(H,25,27)
InChIKeySTIFVRKBCFCHJE-UHFFFAOYSA-N
XLogP4.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 4147010) is N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is STIFVRKBCFCHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c24-20-6-1-2-7-21(20)26-30(28,29)19-5-3-4-18(11-19)22(27)25-23-12-15-8-16(13-23)10-17(9-15)14-23/h1-7,11,15-17,26H,8-10,12-14H2,(H,25,27).
What are the key properties of N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 4147010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).