N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide

C19H17Cl3N4O3S — CID 13280079

IUPACN-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide
SMILESO=C(NCCCn1ccnc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C19H17Cl3N4O3S/c20-14-6-7-16(18(22)17(14)21)30(28,29)25-15-5-2-1-4-13(15)19(27)24-8-3-10-26-11-9-23-12-26/h1-2,4-7,9,11-12,25H,3,8,10H2,(H,24,27)
InChIKeyXVEVNDQJHFFAFM-UHFFFAOYSA-N
MW487.80 g/mol
LogP4.46
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide

N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide (PubChem CID 13280079) has the molecular formula C19H17Cl3N4O3S and a molecular weight of 487.80 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide
PubChem CID13280079
Molecular FormulaC19H17Cl3N4O3S
Molecular Weight487.80 g/mol
Exact Mass486.01
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide
SMILESO=C(NCCCn1ccnc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C19H17Cl3N4O3S/c20-14-6-7-16(18(22)17(14)21)30(28,29)25-15-5-2-1-4-13(15)19(27)24-8-3-10-26-11-9-23-12-26/h1-2,4-7,9,11-12,25H,3,8,10H2,(H,24,27)
InChIKeyXVEVNDQJHFFAFM-UHFFFAOYSA-N
XLogP4.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.80
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
CID 3000011
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 13280089
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide (CID 13280079) is N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide is O=C(NCCCn1ccnc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide?
The InChIKey is XVEVNDQJHFFAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl3N4O3S/c20-14-6-7-16(18(22)17(14)21)30(28,29)25-15-5-2-1-4-13(15)19(27)24-8-3-10-26-11-9-23-12-26/h1-2,4-7,9,11-12,25H,3,8,10H2,(H,24,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide?
N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide has a molecular weight of 487.80 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 13280079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).