(Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid

C19H25NO4S — CID 67929197

IUPAC(Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
SMILESO=C(O)CCC/C=C\C12CCC(C1)C(NS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C19H25NO4S/c21-18(22)9-5-2-6-11-19-12-10-15(13-19)17(14-19)20-25(23,24)16-7-3-1-4-8-16/h1,3-4,6-8,11,15,17,20H,2,5,9-10,12-14H2,(H,21,22)/b11-6-
InChIKeyQNPHRNBLBYWMCA-WDZFZDKYSA-N
MW363.48 g/mol
LogP3.33
Rot. Bonds8

About (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid

(Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid (PubChem CID 67929197) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid.

Molecular Properties

Compound Name(Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
PubChem CID67929197
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name(Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
SMILESO=C(O)CCC/C=C\C12CCC(C1)C(NS(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C19H25NO4S/c21-18(22)9-5-2-6-11-19-12-10-15(13-19)17(14-19)20-25(23,24)16-7-3-1-4-8-16/h1,3-4,6-8,11,15,17,20H,2,5,9-10,12-14H2,(H,21,22)/b11-6-
InChIKeyQNPHRNBLBYWMCA-WDZFZDKYSA-N
XLogP3.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid with MolForge

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

Launch Full Analysis

Related Compounds

7-[(1S,2R,3S,5R)-3-(benzenesulfonamido)-6-thiabicyclo[3.1.0]hexan-2-yl]hept-5-enoic acid
CID 54072046
(Z)-9-(benzenesulfonamido)non-5-enoic acid
CID 15052909
(E)-7-[2-(naphthalen-2-ylsulfonylamino)cyclohexyl]hept-5-enoic acid
CID 18797896
(Z)-7-[(1R,2R,5S)-2-fluoro-5-[(4-fluorophenyl)sulfonylamino]cyclopentyl]hept-5-enoic acid
CID 15018459
(Z)-6-[(1R,2R,3S,4S)-3-[(3-bromophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
CID 139764636
methyl (Z)-7-[(1R,2S,3S,5R)-3-(benzenesulfonamido)-2-bicyclo[3.1.0]hexanyl]hept-5-enoate
CID 14507247
(Z)-6-[1-[(3-methylphenyl)sulfonylamino]cyclopentyl]hex-5-enoic acid
CID 67905182
(Z)-7-[(1S,2R,3R,4R)-3-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 10928987
(E)-7-[(4R,5R)-5-(benzenesulfonamidomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-5-enoic acid
CID 10408509
[(1S,2R,3S)-3-(benzenesulfonamido)-2-[(Z)-7-methoxy-7-oxohept-2-enyl]cyclopentyl] benzoate
CID 15018451
N-(2-hydroxyoxolan-3-yl)benzenesulfonamide
CID 141363362
(Z)-7-[(1S,4R,5R,6S)-6-[(4-fluorophenyl)sulfonylamino]-4-(4-phenylphenyl)-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
CID 67857644

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid?
The IUPAC name of (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid (CID 67929197) is (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid.
What is the SMILES notation for (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid?
The canonical SMILES for (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid is O=C(O)CCC/C=C\C12CCC(C1)C(NS(=O)(=O)c1ccccc1)C2.
What is the InChIKey of (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid?
The InChIKey is QNPHRNBLBYWMCA-WDZFZDKYSA-N. The full InChI is InChI=1S/C19H25NO4S/c21-18(22)9-5-2-6-11-19-12-10-15(13-19)17(14-19)20-25(23,24)16-7-3-1-4-8-16/h1,3-4,6-8,11,15,17,20H,2,5,9-10,12-14H2,(H,21,22)/b11-6-.
What are the key properties of (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid?
(Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid has a molecular weight of 363.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[3-(benzenesulfonamido)-1-bicyclo[2.2.1]heptanyl]hex-5-enoic acid is sourced from PubChem (CID 67929197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).