3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide

C14H22BrN3O3S — CID 4781268

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrN3O3S/c1-18(2)11-3-9-16-14(19)8-10-17-22(20,21)13-6-4-12(15)5-7-13/h4-7,17H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyHFCXBOHERWGMAA-UHFFFAOYSA-N
MW392.32 g/mol
LogP1.19
Rot. Bonds9

About 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 4781268) has the molecular formula C14H22BrN3O3S and a molecular weight of 392.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID4781268
Molecular FormulaC14H22BrN3O3S
Molecular Weight392.32 g/mol
Exact Mass391.06
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrN3O3S/c1-18(2)11-3-9-16-14(19)8-10-17-22(20,21)13-6-4-12(15)5-7-13/h4-7,17H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyHFCXBOHERWGMAA-UHFFFAOYSA-N
XLogP1.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431442
3-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480766
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 112991615
6-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylhexanamide
CID 4569214
N-[2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]ethyl]-3-fluoro-4-methylbenzamide
CID 33326222
4-bromo-N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]benzamide
CID 112991558
(2R)-2-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 8751709
4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 112991642

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide (CID 4781268) is 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is HFCXBOHERWGMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O3S/c1-18(2)11-3-9-16-14(19)8-10-17-22(20,21)13-6-4-12(15)5-7-13/h4-7,17H,3,8-11H2,1-2H3,(H,16,19).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 392.32 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 4781268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).