methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate

C11H10ClNO4S3 — CID 10383342

IUPACmethyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO4S3/c1-6-5-18-10(11(14)17-2)9(6)13-20(15,16)8-4-3-7(12)19-8/h3-5,13H,1-2H3
InChIKeyJJJODTHMJROBAI-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.36
Rot. Bonds4

About methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate

methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate (PubChem CID 10383342) has the molecular formula C11H10ClNO4S3 and a molecular weight of 351.86 g/mol. Its IUPAC name is methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
PubChem CID10383342
Molecular FormulaC11H10ClNO4S3
Molecular Weight351.86 g/mol
Exact Mass350.95
IUPAC Namemethyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H10ClNO4S3/c1-6-5-18-10(11(14)17-2)9(6)13-20(15,16)8-4-3-7(12)19-8/h3-5,13H,1-2H3
InChIKeyJJJODTHMJROBAI-UHFFFAOYSA-N
XLogP3.36
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(5-chlorothiophen-2-yl)methylsulfamoyl]-4-methylthiophene-2-carboxylate
CID 102748842
methyl 4-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]thiophene-2-carboxylate
CID 114916462
methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate
CID 114916457
methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916103
methyl 3-(2,6-dichloroanilino)-4-methylthiophene-2-carboxylate
CID 57017185
methyl 4-methyl-3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]thiophene-2-carboxylate
CID 114916099
2-[(5-chlorothiophen-2-yl)sulfonylamino]-3,5-dimethylbenzoic acid
CID 62778512
methyl 4-methyl-3-(morpholin-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916490
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028
methyl 3-[(4-chlorophenyl)carbamoylamino]-4-methylthiophene-2-carboxylate
CID 56763731
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate (CID 10383342) is methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate?
The InChIKey is JJJODTHMJROBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S3/c1-6-5-18-10(11(14)17-2)9(6)13-20(15,16)8-4-3-7(12)19-8/h3-5,13H,1-2H3.
What are the key properties of methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate?
methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate has a molecular weight of 351.86 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 10383342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).