3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

C25H23ClN4O3S — CID 35859038

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C25H23ClN4O3S/c1-29(23-6-3-5-22(26)15-23)34(32,33)24-7-2-4-21(14-24)25(31)28-16-19-8-10-20(11-9-19)17-30-13-12-27-18-30/h2-15,18H,16-17H2,1H3,(H,28,31)
InChIKeyKVJZWRHLUCZIEB-UHFFFAOYSA-N
MW495.00 g/mol
LogP4.34
Rot. Bonds8

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 35859038) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID35859038
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C25H23ClN4O3S/c1-29(23-6-3-5-22(26)15-23)34(32,33)24-7-2-4-21(14-24)25(31)28-16-19-8-10-20(11-9-19)17-30-13-12-27-18-30/h2-15,18H,16-17H2,1H3,(H,28,31)
InChIKeyKVJZWRHLUCZIEB-UHFFFAOYSA-N
XLogP4.34
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 32933110
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(ethylamino)ethyl]benzamide
CID 119505867
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26903815
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylpropoxy)benzamide
CID 37425289
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1-hydroxypropan-2-yl)benzamide
CID 78857000
3-[(3-chlorophenyl)-methylsulfamoyl]-N-quinolin-6-ylbenzamide
CID 55784053
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446007

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (CID 35859038) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is KVJZWRHLUCZIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c1-29(23-6-3-5-22(26)15-23)34(32,33)24-7-2-4-21(14-24)25(31)28-16-19-8-10-20(11-9-19)17-30-13-12-27-18-30/h2-15,18H,16-17H2,1H3,(H,28,31).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 495.00 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 35859038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).