3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide

C17H17Br2N3O4S — CID 10052340

IUPAC3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide
SMILESCCCC(=O)Nc1c(Br)cc(Br)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17Br2N3O4S/c1-2-3-15(23)22-16-13(8-10(18)9-14(16)19)17(24)21-11-4-6-12(7-5-11)27(20,25)26/h4-9H,2-3H2,1H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyJVQBZJLSFLWIBV-UHFFFAOYSA-N
MW519.22 g/mol
LogP3.85
Rot. Bonds6

About 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide

3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 10052340) has the molecular formula C17H17Br2N3O4S and a molecular weight of 519.22 g/mol. Its IUPAC name is 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide
PubChem CID10052340
Molecular FormulaC17H17Br2N3O4S
Molecular Weight519.22 g/mol
Exact Mass516.93
IUPAC Name3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide
SMILESCCCC(=O)Nc1c(Br)cc(Br)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17Br2N3O4S/c1-2-3-15(23)22-16-13(8-10(18)9-14(16)19)17(24)21-11-4-6-12(7-5-11)27(20,25)26/h4-9H,2-3H2,1H3,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyJVQBZJLSFLWIBV-UHFFFAOYSA-N
XLogP3.85
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.22
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butanoylamino)-5-methyl-N-(4-sulfamoylphenyl)benzamide
CID 10452103
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
N-(4-bromophenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 36838470
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
2-methyl-N-[4-(propanoylamino)phenyl]-5-sulfamoylbenzamide
CID 55846368
N-(4-bromo-2-ethyl-6-methylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 100796184
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
5-chloro-2-(propanoylamino)-N-(4-sulfamoylphenyl)benzamide
CID 10362460
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide (CID 10052340) is 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide is CCCC(=O)Nc1c(Br)cc(Br)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is JVQBZJLSFLWIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2N3O4S/c1-2-3-15(23)22-16-13(8-10(18)9-14(16)19)17(24)21-11-4-6-12(7-5-11)27(20,25)26/h4-9H,2-3H2,1H3,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide?
3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 519.22 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(butanoylamino)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 10052340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).