3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide

C15H19ClN4O3S — CID 51162141

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCCn1ccnc1
InChIInChI=1S/C15H19ClN4O3S/c16-13-3-1-4-14(11-13)24(22,23)19-7-5-15(21)18-6-2-9-20-10-8-17-12-20/h1,3-4,8,10-12,19H,2,5-7,9H2,(H,18,21)
InChIKeyKANGGGJVQMZZSV-UHFFFAOYSA-N
MW370.86 g/mol
LogP1.41
Rot. Bonds9

About 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 51162141) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID51162141
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCCn1ccnc1
InChIInChI=1S/C15H19ClN4O3S/c16-13-3-1-4-14(11-13)24(22,23)19-7-5-15(21)18-6-2-9-20-10-8-17-12-20/h1,3-4,8,10-12,19H,2,5-7,9H2,(H,18,21)
InChIKeyKANGGGJVQMZZSV-UHFFFAOYSA-N
XLogP1.41
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
CID 110204989
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide (CID 51162141) is 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCCn1ccnc1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is KANGGGJVQMZZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c16-13-3-1-4-14(11-13)24(22,23)19-7-5-15(21)18-6-2-9-20-10-8-17-12-20/h1,3-4,8,10-12,19H,2,5-7,9H2,(H,18,21).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 370.86 g/mol, XLogP of 1.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 51162141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).