N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide

C13H13BrN2O3S2 — CID 65238411

IUPACN-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2Br)sc1C
InChIInChI=1S/C13H13BrN2O3S2/c1-7-5-12(20-8(7)2)13(17)16-11-4-3-9(6-10(11)14)21(15,18)19/h3-6H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYVPJMSMEHHCYQD-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.03
Rot. Bonds3

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

N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 65238411) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID65238411
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2Br)sc1C
InChIInChI=1S/C13H13BrN2O3S2/c1-7-5-12(20-8(7)2)13(17)16-11-4-3-9(6-10(11)14)21(15,18)19/h3-6H,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYVPJMSMEHHCYQD-UHFFFAOYSA-N
XLogP3.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31504674
5-bromo-4-methyl-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 79999800
5-bromo-N-(2-fluoro-4-sulfamoylphenyl)-4-methylthiophene-2-carboxamide
CID 79999807
N-(4-bromo-2-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 86983600
N-(2-bromo-4-sulfamoylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107965275
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylpropanamide
CID 61265216
4-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
2,5-dibromo-N-(2-methyl-4-sulfamoylphenyl)thiophene-3-carboxamide
CID 107965297
N-(2-bromo-4-sulfamoylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61260502
5-bromo-N-(2-bromo-4-sulfamoylphenyl)furan-2-carboxamide
CID 61128224
N-(5-bromo-2-chlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62998518

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 65238411) is N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2Br)sc1C.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is YVPJMSMEHHCYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c1-7-5-12(20-8(7)2)13(17)16-11-4-3-9(6-10(11)14)21(15,18)19/h3-6H,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 3.03, 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)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 65238411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).