4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide

C11H12BrN3O3S2 — CID 47152770

IUPAC4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c[nH]2)s1
InChIInChI=1S/C11H12BrN3O3S2/c1-13-20(17,18)10-3-2-8(19-10)6-15-11(16)9-4-7(12)5-14-9/h2-5,13-14H,6H2,1H3,(H,15,16)
InChIKeyIQDJOCCPYIQXSV-UHFFFAOYSA-N
MW378.27 g/mol
LogP1.68
Rot. Bonds5

About 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 47152770) has the molecular formula C11H12BrN3O3S2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID47152770
Molecular FormulaC11H12BrN3O3S2
Molecular Weight378.27 g/mol
Exact Mass376.95
IUPAC Name4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c[nH]2)s1
InChIInChI=1S/C11H12BrN3O3S2/c1-13-20(17,18)10-3-2-8(19-10)6-15-11(16)9-4-7(12)5-14-9/h2-5,13-14H,6H2,1H3,(H,15,16)
InChIKeyIQDJOCCPYIQXSV-UHFFFAOYSA-N
XLogP1.68
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N'-(5-ethylthiophen-2-yl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 47309916
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 47135355
3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 47152765
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 47152750
2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119698675
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 30124717
3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
CID 71853824
1-cyclopropyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrrole-2-carboxamide
CID 75472961
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47292396
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
CID 71982069
2-[2-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81318040
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 119698669

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide (CID 47152770) is 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c[nH]2)s1.
What is the InChIKey of 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is IQDJOCCPYIQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S2/c1-13-20(17,18)10-3-2-8(19-10)6-15-11(16)9-4-7(12)5-14-9/h2-5,13-14H,6H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47152770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).