3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide

C17H18BrNO3S — CID 4104622

IUPAC3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
SMILESCCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO3S/c1-2-13-4-3-5-15(12-13)19-17(20)10-11-23(21,22)16-8-6-14(18)7-9-16/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyBGTAGOPNOZXAMC-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.81
Rot. Bonds6

About 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide (PubChem CID 4104622) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
PubChem CID4104622
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
SMILESCCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO3S/c1-2-13-4-3-5-15(12-13)19-17(20)10-11-23(21,22)16-8-6-14(18)7-9-16/h3-9,12H,2,10-11H2,1H3,(H,19,20)
InChIKeyBGTAGOPNOZXAMC-UHFFFAOYSA-N
XLogP3.81
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-(4-bromophenyl)sulfonyl-N-(4-tert-butylphenyl)propanamide
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3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 56603940
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
N-(3-ethylphenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
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methyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 110294957
N-(3-ethylphenyl)-3-[[(3S)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl]sulfonyl]propanamide
CID 95090477
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 9225118
N-(3-ethylphenyl)decanamide
CID 4053743
3-(4-tert-butylphenyl)sulfonyl-N-(3-fluorophenyl)propanamide
CID 110425753
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide (CID 4104622) is 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide is CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide?
The InChIKey is BGTAGOPNOZXAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-2-13-4-3-5-15(12-13)19-17(20)10-11-23(21,22)16-8-6-14(18)7-9-16/h3-9,12H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide has a molecular weight of 396.31 g/mol, XLogP of 3.81, 6 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-(3-ethylphenyl)propanamide is sourced from PubChem (CID 4104622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).