3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide

C19H21BrN2O4S — CID 56603940

IUPAC3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C19H21BrN2O4S/c20-15-4-6-18(7-5-15)27(24,25)13-8-19(23)21-16-2-1-3-17(14-16)22-9-11-26-12-10-22/h1-7,14H,8-13H2,(H,21,23)
InChIKeyHUBMZTTUCBJZJJ-UHFFFAOYSA-N
MW453.36 g/mol
LogP3.09
Rot. Bonds6

About 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide (PubChem CID 56603940) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide
PubChem CID56603940
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C19H21BrN2O4S/c20-15-4-6-18(7-5-15)27(24,25)13-8-19(23)21-16-2-1-3-17(14-16)22-9-11-26-12-10-22/h1-7,14H,8-13H2,(H,21,23)
InChIKeyHUBMZTTUCBJZJJ-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
CID 4104622
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylphenyl)propanamide
CID 71938578
3-(4-bromophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
CID 15997972
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
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CID 126839368
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110426277
4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide
CID 110612957
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544356
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide (CID 56603940) is 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide?
The InChIKey is HUBMZTTUCBJZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c20-15-4-6-18(7-5-15)27(24,25)13-8-19(23)21-16-2-1-3-17(14-16)22-9-11-26-12-10-22/h1-7,14H,8-13H2,(H,21,23).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide has a molecular weight of 453.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(3-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 56603940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).