methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate

C11H9ClN2O4S2 — CID 28748643

IUPACmethyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C11H9ClN2O4S2/c1-18-11(15)10-8(6-9(12)19-10)20(16,17)14-7-2-4-13-5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyVPQSQCLJOAMOSL-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.38
Rot. Bonds4

About methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate

methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 28748643) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID28748643
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Namemethyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccncc1
InChIInChI=1S/C11H9ClN2O4S2/c1-18-11(15)10-8(6-9(12)19-10)20(16,17)14-7-2-4-13-5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyVPQSQCLJOAMOSL-UHFFFAOYSA-N
XLogP2.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-chloro-3-[(3,4,5-trimethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 51049222
methyl 5-chloro-3-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 67970194
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 29050395
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
methyl 5-chloro-3-fluorothiophene-2-carboxylate
CID 71425499
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
(5-chloro-2-methoxycarbonylthiophen-3-yl)boronic acid
CID 154881571
3-acetyl-5-chloro-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 19434004
methyl 4-[[4-(pyridin-4-ylsulfamoyl)benzoyl]amino]benzoate
CID 39393529
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate (CID 28748643) is methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sc(Cl)cc1S(=O)(=O)Nc1ccncc1.
What is the InChIKey of methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is VPQSQCLJOAMOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c1-18-11(15)10-8(6-9(12)19-10)20(16,17)14-7-2-4-13-5-3-7/h2-6H,1H3,(H,13,14).
What are the key properties of methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate?
methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 332.79 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-(pyridin-4-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 28748643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).