2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate

C8H8ClNO4S2 — CID 30589125

IUPAC2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate
SMILESC=C(Cl)COC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C8H8ClNO4S2/c1-5(9)3-14-8(11)6-2-7(15-4-6)16(10,12)13/h2,4H,1,3H2,(H2,10,12,13)
InChIKeyKRLPOHPRARLCJF-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.30
Rot. Bonds4

About 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate

2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate (PubChem CID 30589125) has the molecular formula C8H8ClNO4S2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate
PubChem CID30589125
Molecular FormulaC8H8ClNO4S2
Molecular Weight281.74 g/mol
Exact Mass280.96
IUPAC Name2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate
SMILESC=C(Cl)COC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C8H8ClNO4S2/c1-5(9)3-14-8(11)6-2-7(15-4-6)16(10,12)13/h2,4H,1,3H2,(H2,10,12,13)
InChIKeyKRLPOHPRARLCJF-UHFFFAOYSA-N
XLogP1.30
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936183
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531102
2-propan-2-yloxyethyl 5-sulfamoylthiophene-3-carboxylate
CID 60721282
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 18283523
4-methylpentan-2-yl 5-sulfamoylthiophene-3-carboxylate
CID 65382673
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936391
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531126
oxolan-2-ylmethyl 5-sulfamoylthiophene-3-carboxylate
CID 60721262
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 24531108
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
CID 27936684
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
1-(2-chlorophenyl)ethyl 5-sulfamoylthiophene-3-carboxylate
CID 18102722

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate (CID 30589125) is 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate is C=C(Cl)COC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is KRLPOHPRARLCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO4S2/c1-5(9)3-14-8(11)6-2-7(15-4-6)16(10,12)13/h2,4H,1,3H2,(H2,10,12,13).
What are the key properties of 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate?
2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 281.74 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 30589125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).