3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide

C17H20BrN3O5S2 — CID 26644643

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN3O5S2/c1-21(2)28(25,26)16-5-3-4-14(12-16)20-17(22)10-11-19-27(23,24)15-8-6-13(18)7-9-15/h3-9,12,19H,10-11H2,1-2H3,(H,20,22)
InChIKeyISRLUEWNDWCWGJ-UHFFFAOYSA-N
MW490.40 g/mol
LogP2.01
Rot. Bonds8

About 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 26644643) has the molecular formula C17H20BrN3O5S2 and a molecular weight of 490.40 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID26644643
Molecular FormulaC17H20BrN3O5S2
Molecular Weight490.40 g/mol
Exact Mass489.00
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H20BrN3O5S2/c1-21(2)28(25,26)16-5-3-4-14(12-16)20-17(22)10-11-19-27(23,24)15-8-6-13(18)7-9-15/h3-9,12,19H,10-11H2,1-2H3,(H,20,22)
InChIKeyISRLUEWNDWCWGJ-UHFFFAOYSA-N
XLogP2.01
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 9412446
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide (CID 26644643) is 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is ISRLUEWNDWCWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O5S2/c1-21(2)28(25,26)16-5-3-4-14(12-16)20-17(22)10-11-19-27(23,24)15-8-6-13(18)7-9-15/h3-9,12,19H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 490.40 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 26644643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).