(2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide

C16H20FNO2S — CID 142953292

IUPAC(2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide
SMILESC=C/C=C\C=C/CS(=O)(=O)N[C@H](C)C1=CC=C(F)CC=C1
InChIInChI=1S/C16H20FNO2S/c1-3-4-5-6-7-13-21(19,20)18-14(2)15-9-8-10-16(17)12-11-15/h3-9,11-12,14,18H,1,10,13H2,2H3/b5-4-,7-6-/t14-/m1/s1
InChIKeyZFGWDDRSCWXGFZ-YOUBIVCXSA-N
MW309.41 g/mol
LogP3.33
Rot. Bonds7

About (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide

(2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide (PubChem CID 142953292) has the molecular formula C16H20FNO2S and a molecular weight of 309.41 g/mol. Its IUPAC name is (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide.

Molecular Properties

Compound Name(2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide
PubChem CID142953292
Molecular FormulaC16H20FNO2S
Molecular Weight309.41 g/mol
Exact Mass309.12
IUPAC Name(2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide
SMILESC=C/C=C\C=C/CS(=O)(=O)N[C@H](C)C1=CC=C(F)CC=C1
InChIInChI=1S/C16H20FNO2S/c1-3-4-5-6-7-13-21(19,20)18-14(2)15-9-8-10-16(17)12-11-15/h3-9,11-12,14,18H,1,10,13H2,2H3/b5-4-,7-6-/t14-/m1/s1
InChIKeyZFGWDDRSCWXGFZ-YOUBIVCXSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide 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

5-prop-1-en-2-yl-N-(1,1,1-trifluoropropan-2-yl)octa-2,4,6-triene-4-sulfonamide
CID 123347096
4-methyl-N-(1,1,1-trifluoropropan-2-yl)hepta-1,3,5-triene-3-sulfonamide
CID 123537012
(4E)-3-fluoro-2-methyl-N-propan-2-ylhexa-1,4-diene-3-sulfonamide
CID 169660508
N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide
CID 143860161
N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
N-(4-methylhepta-4,6-dien-3-yl)butane-1-sulfonamide
CID 73735614
(2E,3E)-4-amino-2-ethylidene-N-propan-2-ylhexa-3,5-diene-1-sulfonamide
CID 88487927
N-(4-methylcyclohexa-2,4-dien-1-yl)propane-2-sulfinamide
CID 89154013
(Z,3Z)-6-amino-3-ethylidene-N-methylhex-4-ene-1-sulfonamide
CID 89940500
N-[(3S)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 90955040

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide?
The IUPAC name of (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide (CID 142953292) is (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide.
What is the SMILES notation for (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide?
The canonical SMILES for (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide is C=C/C=C\C=C/CS(=O)(=O)N[C@H](C)C1=CC=C(F)CC=C1.
What is the InChIKey of (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide?
The InChIKey is ZFGWDDRSCWXGFZ-YOUBIVCXSA-N. The full InChI is InChI=1S/C16H20FNO2S/c1-3-4-5-6-7-13-21(19,20)18-14(2)15-9-8-10-16(17)12-11-15/h3-9,11-12,14,18H,1,10,13H2,2H3/b5-4-,7-6-/t14-/m1/s1.
What are the key properties of (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide?
(2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide has a molecular weight of 309.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide is sourced from PubChem (CID 142953292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).