2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide

C14H14BrN3O3S — CID 4806491

IUPAC2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN3O3S/c15-10-1-3-11(4-2-10)17-9-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8,17H,9H2,(H,18,19)(H2,16,20,21)
InChIKeyHVHZTEPYBOULFN-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.15
Rot. Bonds5

About 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide

2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 4806491) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
PubChem CID4806491
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrN3O3S/c15-10-1-3-11(4-2-10)17-9-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8,17H,9H2,(H,18,19)(H2,16,20,21)
InChIKeyHVHZTEPYBOULFN-UHFFFAOYSA-N
XLogP2.15
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
2-(4-bromoanilino)-N-(3-bromo-4-methylphenyl)acetamide
CID 109008915
2-(3-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 115650334
2-(4-bromoanilino)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 43015942
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
CID 112688467
2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 27087506
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
propyl 4-[[2-(4-bromoanilino)acetyl]amino]benzoate
CID 54810937
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide (CID 4806491) is 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CNc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is HVHZTEPYBOULFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c15-10-1-3-11(4-2-10)17-9-14(19)18-12-5-7-13(8-6-12)22(16,20)21/h1-8,17H,9H2,(H,18,19)(H2,16,20,21).
What are the key properties of 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide?
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 384.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4806491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).