3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide

C19H22BrNO3S — CID 56603857

IUPAC3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO3S/c1-19(2,3)14-4-8-16(9-5-14)21-18(22)12-13-25(23,24)17-10-6-15(20)7-11-17/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyHEHVOTJWXOBJHE-UHFFFAOYSA-N
MW424.36 g/mol
LogP4.55
Rot. Bonds5

About 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide (PubChem CID 56603857) has the molecular formula C19H22BrNO3S and a molecular weight of 424.36 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
PubChem CID56603857
Molecular FormulaC19H22BrNO3S
Molecular Weight424.36 g/mol
Exact Mass423.05
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrNO3S/c1-19(2,3)14-4-8-16(9-5-14)21-18(22)12-13-25(23,24)17-10-6-15(20)7-11-17/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyHEHVOTJWXOBJHE-UHFFFAOYSA-N
XLogP4.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
CID 110425753
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
CID 4104622
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-(4-bromophenyl)-3-(5-bromothiophen-2-yl)sulfonylpropanamide
CID 4075609
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
3-(4-tert-butylphenyl)sulfonyl-N-(3-methylbutyl)propanamide
CID 110415591
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide (CID 56603857) is 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide is CC(C)(C)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide?
The InChIKey is HEHVOTJWXOBJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3S/c1-19(2,3)14-4-8-16(9-5-14)21-18(22)12-13-25(23,24)17-10-6-15(20)7-11-17/h4-11H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide has a molecular weight of 424.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 56603857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).