3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide

C15H20FNO3S — CID 134542495

IUPAC3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCNS(=O)(=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C15H20FNO3S/c1-2-3-4-9-17-21(18,19)13-7-8-14(16)15(10-13)20-11-12-5-6-12/h2,7-8,10,12,17H,1,3-6,9,11H2
InChIKeyOFCBNJQNHPBIGT-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.86
Rot. Bonds9

About 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide

3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide (PubChem CID 134542495) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide
PubChem CID134542495
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC Name3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCNS(=O)(=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C15H20FNO3S/c1-2-3-4-9-17-21(18,19)13-7-8-14(16)15(10-13)20-11-12-5-6-12/h2,7-8,10,12,17H,1,3-6,9,11H2
InChIKeyOFCBNJQNHPBIGT-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxo-1,3-diazinan-1-yl)hex-4-enyl]-4-fluorobenzenesulfonamide
CID 134543766
N-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]but-3-ene-1-sulfonamide
CID 134544143
3-(cyclopropylmethoxy)-4-fluoro-N-[(E)-2-methyloct-3-en-2-yl]benzenesulfonamide
CID 155206581
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]but-3-ene-1-sulfonamide
CID 135207313
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 114264970
N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]but-3-ene-1-sulfonamide
CID 162462712
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 113242600
3-amino-N-(2-but-3-enoxyethyl)-4-fluorobenzenesulfonamide
CID 106392666
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
CID 134542398
3-(cyclopropylmethoxy)-N-[7-[(2,5-dioxopyrrolidin-3-yl)amino]-2-methylheptan-2-yl]-4-fluorobenzenesulfonamide
CID 140885285

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide?
The IUPAC name of 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide (CID 134542495) is 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide is C=CCCCNS(=O)(=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide?
The InChIKey is OFCBNJQNHPBIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-2-3-4-9-17-21(18,19)13-7-8-14(16)15(10-13)20-11-12-5-6-12/h2,7-8,10,12,17H,1,3-6,9,11H2.
What are the key properties of 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide?
3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide has a molecular weight of 313.39 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-4-fluoro-N-pent-4-enylbenzenesulfonamide is sourced from PubChem (CID 134542495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).