3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

C24H21ClN4O3S — CID 32933110

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C24H21ClN4O3S/c25-22-6-1-2-7-23(22)28-33(31,32)21-5-3-4-20(14-21)24(30)27-15-18-8-10-19(11-9-18)16-29-13-12-26-17-29/h1-14,17,28H,15-16H2,(H,27,30)
InChIKeySHVXKTZWMLMVHV-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.32
Rot. Bonds8

About 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 32933110) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID32933110
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C24H21ClN4O3S/c25-22-6-1-2-7-23(22)28-33(31,32)21-5-3-4-20(14-21)24(30)27-15-18-8-10-19(11-9-18)16-29-13-12-26-17-29/h1-14,17,28H,15-16H2,(H,27,30)
InChIKeySHVXKTZWMLMVHV-UHFFFAOYSA-N
XLogP4.32
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513235
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35859038
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-9-oxofluorene-2-carboxamide
CID 37423564
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
3-[(2-cyanophenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109064957
3-[(2-chlorophenyl)sulfamoyl]-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]benzamide
CID 55658702
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 30378303
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide (CID 32933110) is 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is SHVXKTZWMLMVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c25-22-6-1-2-7-23(22)28-33(31,32)21-5-3-4-20(14-21)24(30)27-15-18-8-10-19(11-9-18)16-29-13-12-26-17-29/h1-14,17,28H,15-16H2,(H,27,30).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 480.98 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 32933110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).