3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide

C19H19BrN4O3S — CID 24687217

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H19BrN4O3S/c20-16-5-7-17(8-6-16)23-28(26,27)18-4-1-3-15(13-18)19(25)22-9-2-11-24-12-10-21-14-24/h1,3-8,10,12-14,23H,2,9,11H2,(H,22,25)
InChIKeyFTJBHQCILACAPK-UHFFFAOYSA-N
MW463.36 g/mol
LogP3.27
Rot. Bonds8

About 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide

3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 24687217) has the molecular formula C19H19BrN4O3S and a molecular weight of 463.36 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID24687217
Molecular FormulaC19H19BrN4O3S
Molecular Weight463.36 g/mol
Exact Mass462.04
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H19BrN4O3S/c20-16-5-7-17(8-6-16)23-28(26,27)18-4-1-3-15(13-18)19(25)22-9-2-11-24-12-10-21-14-24/h1,3-8,10,12-14,23H,2,9,11H2,(H,22,25)
InChIKeyFTJBHQCILACAPK-UHFFFAOYSA-N
XLogP3.27
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.36
LogP ≤ 53.27
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

N-[3-(1H-imidazol-1-yl)propyl]-8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide
CID 10002219
5-(3-Imidazol-1-yl-propylsulfamoyl)-N-isopropyl-2-methyl-benzamide
CID 6457658
3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 3903324
N-Benzyl-N-(1-methyl-1H-imidazol-2-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 10162503
N-[7-Bromo-1-(3H-imidazol-4-ylmethyl)-4-methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-3-ylmethyl]-benzamide
CID 10601986
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
3-(benzylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 4879342
N-[(1E)-1-(4-bromophenyl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]benzamide
CID 5891548
CID 6602839
CID 6602839
3-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 9551924
N-(2-imidazol-1-yl-2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 118712544
N-Benzyl-N-(3-imidazol-1-yl-propyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 10228115

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide (CID 24687217) is 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is FTJBHQCILACAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3S/c20-16-5-7-17(8-6-16)23-28(26,27)18-4-1-3-15(13-18)19(25)22-9-2-11-24-12-10-21-14-24/h1,3-8,10,12-14,23H,2,9,11H2,(H,22,25).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 463.36 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 24687217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).