N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C16H20N2O3S — CID 3485855

IUPACN-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CC3C=CC2C3)cc1
InChIInChI=1S/C16H20N2O3S/c1-18(2)22(20,21)14-7-5-13(6-8-14)17-16(19)15-10-11-3-4-12(15)9-11/h3-8,11-12,15H,9-10H2,1-2H3,(H,17,19)
InChIKeyPKVQQARSPCWFPN-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.09
Rot. Bonds4

About N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 3485855) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID3485855
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2CC3C=CC2C3)cc1
InChIInChI=1S/C16H20N2O3S/c1-18(2)22(20,21)14-7-5-13(6-8-14)17-16(19)15-10-11-3-4-12(15)9-11/h3-8,11-12,15H,9-10H2,1-2H3,(H,17,19)
InChIKeyPKVQQARSPCWFPN-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 3485855) is N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)C2CC3C=CC2C3)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is PKVQQARSPCWFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-18(2)22(20,21)14-7-5-13(6-8-14)17-16(19)15-10-11-3-4-12(15)9-11/h3-8,11-12,15H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 3485855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).