N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H16N2O3S — CID 60635841

IUPACN-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CC3C=CC2C3)c1
InChIInChI=1S/C14H16N2O3S/c15-20(18,19)12-3-1-2-11(8-12)16-14(17)13-7-9-4-5-10(13)6-9/h1-5,8-10,13H,6-7H2,(H,16,17)(H2,15,18,19)
InChIKeySPXNCHSCVUCAMM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.48
Rot. Bonds3

About N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 60635841) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID60635841
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)C2CC3C=CC2C3)c1
InChIInChI=1S/C14H16N2O3S/c15-20(18,19)12-3-1-2-11(8-12)16-14(17)13-7-9-4-5-10(13)6-9/h1-5,8-10,13H,6-7H2,(H,16,17)(H2,15,18,19)
InChIKeySPXNCHSCVUCAMM-UHFFFAOYSA-N
XLogP1.48
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]sulfonylamino]acetic acid
CID 136554253
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685
(1R,2R,4S)-N-(3-cyanophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98368145
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 91939033
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide
CID 43761234
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
(E)-3-[3-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)phenyl]prop-2-enoic acid
CID 115339095
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
CID 24704021
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
(1R,2R,4S)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98140080

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 60635841) is N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is NS(=O)(=O)c1cccc(NC(=O)C2CC3C=CC2C3)c1.
What is the InChIKey of N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is SPXNCHSCVUCAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c15-20(18,19)12-3-1-2-11(8-12)16-14(17)13-7-9-4-5-10(13)6-9/h1-5,8-10,13H,6-7H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 60635841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).