3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride

C13H21BrClN3O3S — CID 119431442

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H20BrN3O3S.ClH/c1-15-8-2-9-16-13(18)7-10-17-21(19,20)12-5-3-11(14)4-6-12;/h3-6,15,17H,2,7-10H2,1H3,(H,16,18);1H
InChIKeyKJIFVZRNRPGBBB-UHFFFAOYSA-N
MW414.75 g/mol
LogP1.26
Rot. Bonds9

About 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride

3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 119431442) has the molecular formula C13H21BrClN3O3S and a molecular weight of 414.75 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
PubChem CID119431442
Molecular FormulaC13H21BrClN3O3S
Molecular Weight414.75 g/mol
Exact Mass413.02
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C13H20BrN3O3S.ClH/c1-15-8-2-9-16-13(18)7-10-17-21(19,20)12-5-3-11(14)4-6-12;/h3-6,15,17H,2,7-10H2,1H3,(H,16,18);1H
InChIKeyKJIFVZRNRPGBBB-UHFFFAOYSA-N
XLogP1.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.75
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-3-[(4-nitrophenyl)sulfonylamino]propanamide;hydrochloride
CID 119430375
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 4781268
4-(4-bromophenyl)sulfonyl-N-[3-(methylamino)propyl]butanamide
CID 119432381
3-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480766
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]propanamide
CID 108574108
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-[2-(benzenesulfonamido)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704245
4-(methylamino)-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]butanamide;hydrochloride
CID 119752364
2-[(4-bromophenyl)sulfonylamino]-N-pentylacetamide
CID 112995289
N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119792992
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride (CID 119431442) is 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride is CNCCCNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is KJIFVZRNRPGBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O3S.ClH/c1-15-8-2-9-16-13(18)7-10-17-21(19,20)12-5-3-11(14)4-6-12;/h3-6,15,17H,2,7-10H2,1H3,(H,16,18);1H.
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride?
3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 414.75 g/mol, XLogP of 1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[3-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119431442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).