2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide

C12H16FNO2S — CID 115640458

IUPAC2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-3-4-7-10-14(2)17(15,16)12-9-6-5-8-11(12)13/h3,5-6,8-9H,1,4,7,10H2,2H3
InChIKeyPGFHVSQZGFRUJU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.41
Rot. Bonds6

About 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide

2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide (PubChem CID 115640458) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
PubChem CID115640458
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-3-4-7-10-14(2)17(15,16)12-9-6-5-8-11(12)13/h3,5-6,8-9H,1,4,7,10H2,2H3
InChIKeyPGFHVSQZGFRUJU-UHFFFAOYSA-N
XLogP2.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzenesulfonamide
CID 63695562
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
2-fluoro-N-methyl-N-(2-oxoethyl)benzenesulfonamide
CID 143860184
N-ethyl-2-fluoro-N-prop-2-enylbenzenesulfonamide
CID 115279924
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63207567
N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 114242897
N-(2-chloropropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 63397262
4-bromo-3-[methyl(pent-4-enyl)sulfamoyl]benzoic acid
CID 104654987
N,5-dimethyl-N-pent-4-enyl-1H-pyrazole-4-sulfonamide
CID 115640454
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
2-amino-3-fluoro-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230052
N-methyl-N-pent-4-enylmethanesulfonamide
CID 115640453

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide (CID 115640458) is 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide is C=CCCCN(C)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide?
The InChIKey is PGFHVSQZGFRUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-3-4-7-10-14(2)17(15,16)12-9-6-5-8-11(12)13/h3,5-6,8-9H,1,4,7,10H2,2H3.
What are the key properties of 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide?
2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-pent-4-enylbenzenesulfonamide is sourced from PubChem (CID 115640458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).