3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide

C15H15BrN2O3S — CID 9340921

IUPAC3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Br)Nc1ccccc1
InChIInChI=1S/C15H15BrN2O3S/c16-13-8-4-5-9-14(13)22(20,21)17-11-10-15(19)18-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyKYSHYPGRDXHTCY-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.76
Rot. Bonds6

About 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide

3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide (PubChem CID 9340921) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
PubChem CID9340921
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1Br)Nc1ccccc1
InChIInChI=1S/C15H15BrN2O3S/c16-13-8-4-5-9-14(13)22(20,21)17-11-10-15(19)18-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,18,19)
InChIKeyKYSHYPGRDXHTCY-UHFFFAOYSA-N
XLogP2.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide
CID 9245597
3-[(2-bromophenyl)sulfonylamino]-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 9224808
3-[(2,5-dibromophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 26086022
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
2-[(2-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
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N-[3-[3-[(2-chlorophenyl)sulfonylamino]propanoylamino]phenyl]benzamide
CID 55868550
3-[(2-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 26697206
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
3-(2,1,3-benzoxadiazol-4-ylsulfonylamino)-N-(4-bromophenyl)propanamide
CID 4249631
3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24564599
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide?
The IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide (CID 9340921) is 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide.
What is the SMILES notation for 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide?
The canonical SMILES for 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide is O=C(CCNS(=O)(=O)c1ccccc1Br)Nc1ccccc1.
What is the InChIKey of 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide?
The InChIKey is KYSHYPGRDXHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c16-13-8-4-5-9-14(13)22(20,21)17-11-10-15(19)18-12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H,18,19).
What are the key properties of 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide?
3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide has a molecular weight of 383.27 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)sulfonylamino]-N-phenylpropanamide is sourced from PubChem (CID 9340921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).