(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H24N2O3S — CID 98341757

IUPAC(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C17H24N2O3S/c1-19(2)23(21,22)16-6-4-3-5-14(16)11-18-17(20)15-10-12-7-8-13(15)9-12/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15+/m1/s1
InChIKeySXEHFZOGEUPOQA-NFAWXSAZSA-N
MW336.46 g/mol
LogP1.99
Rot. Bonds5

About (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98341757) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98341757
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C17H24N2O3S/c1-19(2)23(21,22)16-6-4-3-5-14(16)11-18-17(20)15-10-12-7-8-13(15)9-12/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15+/m1/s1
InChIKeySXEHFZOGEUPOQA-NFAWXSAZSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 98341757) is (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is SXEHFZOGEUPOQA-NFAWXSAZSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-19(2)23(21,22)16-6-4-3-5-14(16)11-18-17(20)15-10-12-7-8-13(15)9-12/h3-6,12-13,15H,7-11H2,1-2H3,(H,18,20)/t12-,13-,15+/m1/s1.
What are the key properties of (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98341757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).