N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide

C10H14ClNO2S2 — CID 81429511

IUPACN-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC/C=C/CCl)s1
InChIInChI=1S/C10H14ClNO2S2/c1-2-9-5-6-10(15-9)16(13,14)12-8-4-3-7-11/h3-6,12H,2,7-8H2,1H3/b4-3+
InChIKeyPHZPLSIXOZATNR-ONEGZZNKSA-N
MW279.81 g/mol
LogP2.38
Rot. Bonds6

About N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide

N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 81429511) has the molecular formula C10H14ClNO2S2 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide
PubChem CID81429511
Molecular FormulaC10H14ClNO2S2
Molecular Weight279.81 g/mol
Exact Mass279.02
IUPAC NameN-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC/C=C/CCl)s1
InChIInChI=1S/C10H14ClNO2S2/c1-2-9-5-6-10(15-9)16(13,14)12-8-4-3-7-11/h3-6,12H,2,7-8H2,1H3/b4-3+
InChIKeyPHZPLSIXOZATNR-ONEGZZNKSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-chlorobut-2-enyl]-5-methylthiophene-2-sulfonamide
CID 81430518
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
5-ethyl-N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616513
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
5-ethyl-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 75517993
5-ethyl-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113098193
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
CID 65031848

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide (CID 81429511) is N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC/C=C/CCl)s1.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is PHZPLSIXOZATNR-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H14ClNO2S2/c1-2-9-5-6-10(15-9)16(13,14)12-8-4-3-7-11/h3-6,12H,2,7-8H2,1H3/b4-3+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide?
N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 279.81 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 81429511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).