N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide

C11H7BrCl2N2O3S2 — CID 107965275

IUPACN-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)c(Br)c1
InChIInChI=1S/C11H7BrCl2N2O3S2/c12-7-3-5(21(15,18)19)1-2-8(7)16-11(17)6-4-9(13)20-10(6)14/h1-4H,(H,16,17)(H2,15,18,19)
InChIKeyFDJMPFBVHCAACY-UHFFFAOYSA-N
MW430.13 g/mol
LogP3.72
Rot. Bonds3

About N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide

N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107965275) has the molecular formula C11H7BrCl2N2O3S2 and a molecular weight of 430.13 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107965275
Molecular FormulaC11H7BrCl2N2O3S2
Molecular Weight430.13 g/mol
Exact Mass427.85
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)c(Br)c1
InChIInChI=1S/C11H7BrCl2N2O3S2/c12-7-3-5(21(15,18)19)1-2-8(7)16-11(17)6-4-9(13)20-10(6)14/h1-4H,(H,16,17)(H2,15,18,19)
InChIKeyFDJMPFBVHCAACY-UHFFFAOYSA-N
XLogP3.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.13
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965296
4-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238411
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
2,5-dichloro-N-(3-fluoro-5-sulfamoylphenyl)thiophene-3-carboxamide
CID 103727937
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
CID 61265216
5-bromo-N-(2-bromo-4-sulfamoylphenyl)furan-2-carboxamide
CID 61128224
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
CID 81119012
2,5-dibromo-N-(2-fluoro-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965284
2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965297
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide (CID 107965275) is N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is FDJMPFBVHCAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O3S2/c12-7-3-5(21(15,18)19)1-2-8(7)16-11(17)6-4-9(13)20-10(6)14/h1-4H,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 430.13 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107965275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).