methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate

C12H10BrNO4S2 — CID 5100408

IUPACmethyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H10BrNO4S2/c1-18-12(15)8-6-19-7-10(8)14-20(16,17)11-5-3-2-4-9(11)13/h2-7,14H,1H3
InChIKeySUPWWGFINGQNQB-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.10
Rot. Bonds4

About methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate

methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate (PubChem CID 5100408) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate
PubChem CID5100408
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Namemethyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H10BrNO4S2/c1-18-12(15)8-6-19-7-10(8)14-20(16,17)11-5-3-2-4-9(11)13/h2-7,14H,1H3
InChIKeySUPWWGFINGQNQB-UHFFFAOYSA-N
XLogP3.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate?
The IUPAC name of methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate (CID 5100408) is methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate is COC(=O)c1cscc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate?
The InChIKey is SUPWWGFINGQNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c1-18-12(15)8-6-19-7-10(8)14-20(16,17)11-5-3-2-4-9(11)13/h2-7,14H,1H3.
What are the key properties of methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate?
methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate has a molecular weight of 376.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-bromophenyl)sulfonylamino]thiophene-3-carboxylate is sourced from PubChem (CID 5100408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).