methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate

C13H11Cl2NO4S2 — CID 5017680

IUPACmethyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO4S2/c1-20-13(17)12-11(4-5-21-12)22(18,19)16-7-8-2-3-9(14)10(15)6-8/h2-6,16H,7H2,1H3
InChIKeyMIFKPTCQANQJJJ-UHFFFAOYSA-N
MW380.27 g/mol
LogP3.32
Rot. Bonds5

About methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 5017680) has the molecular formula C13H11Cl2NO4S2 and a molecular weight of 380.27 g/mol. Its IUPAC name is methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate
PubChem CID5017680
Molecular FormulaC13H11Cl2NO4S2
Molecular Weight380.27 g/mol
Exact Mass378.95
IUPAC Namemethyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2NO4S2/c1-20-13(17)12-11(4-5-21-12)22(18,19)16-7-8-2-3-9(14)10(15)6-8/h2-6,16H,7H2,1H3
InChIKeyMIFKPTCQANQJJJ-UHFFFAOYSA-N
XLogP3.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 18148608
methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 56765592
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]thiophene-2-carboxylate
CID 18148549
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylate
CID 114694295
methyl 3-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 79529174
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
3-[(3,4-dichlorophenyl)methylamino]thiophene-2-carboxylic acid
CID 54757812

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate (CID 5017680) is methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is MIFKPTCQANQJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4S2/c1-20-13(17)12-11(4-5-21-12)22(18,19)16-7-8-2-3-9(14)10(15)6-8/h2-6,16H,7H2,1H3.
What are the key properties of methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 380.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 5017680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).