N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide

C14H15NO2S2 — CID 155930180

IUPACN-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide
SMILESC/C=C/N(Cc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO2S2/c1-2-10-15(12-13-7-4-3-5-8-13)19(16,17)14-9-6-11-18-14/h2-11H,12H2,1H3/b10-2+
InChIKeyXLSMPGLCGNHKHU-WTDSWWLTSA-N
MW293.41 g/mol
LogP3.47
Rot. Bonds5

About N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide

N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide (PubChem CID 155930180) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide
PubChem CID155930180
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC NameN-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide
SMILESC/C=C/N(Cc1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO2S2/c1-2-10-15(12-13-7-4-3-5-8-13)19(16,17)14-9-6-11-18-14/h2-11H,12H2,1H3/b10-2+
InChIKeyXLSMPGLCGNHKHU-WTDSWWLTSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide (CID 155930180) is N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide is C/C=C/N(Cc1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide?
The InChIKey is XLSMPGLCGNHKHU-WTDSWWLTSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-2-10-15(12-13-7-4-3-5-8-13)19(16,17)14-9-6-11-18-14/h2-11H,12H2,1H3/b10-2+.
What are the key properties of N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide?
N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-prop-1-enyl]thiophene-2-sulfonamide is sourced from PubChem (CID 155930180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).