N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide

C12H11BrN2O4S2 — CID 81119012

IUPACN-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C12H11BrN2O4S2/c1-19-10-4-5-20-11(10)12(16)15-9-3-2-7(6-8(9)13)21(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyZBQARJOEGBNXEZ-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.42
Rot. Bonds4

About N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide

N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide (PubChem CID 81119012) has the molecular formula C12H11BrN2O4S2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
PubChem CID81119012
Molecular FormulaC12H11BrN2O4S2
Molecular Weight391.27 g/mol
Exact Mass389.93
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C12H11BrN2O4S2/c1-19-10-4-5-20-11(10)12(16)15-9-3-2-7(6-8(9)13)21(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyZBQARJOEGBNXEZ-UHFFFAOYSA-N
XLogP2.42
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-2-bromo-4-methylphenyl)-3-methoxythiophene-2-carboxamide
CID 104814524
N-(4-bromo-2,5-difluorophenyl)-3-methoxythiophene-2-carboxamide
CID 113330149
3-bromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 63297240
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
CID 81003488
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
N-(2-amino-4,6-dibromophenyl)-3-methoxythiophene-2-carboxamide
CID 81116987
N-(2-aminophenyl)-3-methoxythiophene-2-carboxamide
CID 81116979
N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107965275
4-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
CID 61265216
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210041
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide (CID 81119012) is N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is ZBQARJOEGBNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4S2/c1-19-10-4-5-20-11(10)12(16)15-9-3-2-7(6-8(9)13)21(14,17)18/h2-6H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81119012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).