N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide

C14H20N2O2S — CID 123149437

IUPACN-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESC=C(C)N1CCC(CNS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O2S/c1-12(2)16-9-8-13(11-16)10-15-19(17,18)14-6-4-3-5-7-14/h3-7,13,15H,1,8-11H2,2H3
InChIKeyQDYCEHOPSRFUCI-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.82
Rot. Bonds5

About N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide

N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 123149437) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID123149437
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESC=C(C)N1CCC(CNS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C14H20N2O2S/c1-12(2)16-9-8-13(11-16)10-15-19(17,18)14-6-4-3-5-7-14/h3-7,13,15H,1,8-11H2,2H3
InChIKeyQDYCEHOPSRFUCI-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 123149437) is N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide is C=C(C)N1CCC(CNS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is QDYCEHOPSRFUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-12(2)16-9-8-13(11-16)10-15-19(17,18)14-6-4-3-5-7-14/h3-7,13,15H,1,8-11H2,2H3.
What are the key properties of N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide?
N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-prop-1-en-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 123149437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).