2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide

C21H22ClFN4O3S — CID 46512947

IUPAC2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC(c2cccc(F)c2)c2nccn2C)c1
InChIInChI=1S/C21H22ClFN4O3S/c1-13(2)26-31(29,30)16-7-8-18(22)17(12-16)21(28)25-19(20-24-9-10-27(20)3)14-5-4-6-15(23)11-14/h4-13,19,26H,1-3H3,(H,25,28)
InChIKeyBSJWTEZZLAEBAM-UHFFFAOYSA-N
MW464.95 g/mol
LogP3.42
Rot. Bonds7

About 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46512947) has the molecular formula C21H22ClFN4O3S and a molecular weight of 464.95 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID46512947
Molecular FormulaC21H22ClFN4O3S
Molecular Weight464.95 g/mol
Exact Mass464.11
IUPAC Name2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC(c2cccc(F)c2)c2nccn2C)c1
InChIInChI=1S/C21H22ClFN4O3S/c1-13(2)26-31(29,30)16-7-8-18(22)17(12-16)21(28)25-19(20-24-9-10-27(20)3)14-5-4-6-15(23)11-14/h4-13,19,26H,1-3H3,(H,25,28)
InChIKeyBSJWTEZZLAEBAM-UHFFFAOYSA-N
XLogP3.42
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.95
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55492162
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 40939702
3-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 17417989
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
CID 55685694
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 25368073
2,6-dichloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541169
3-(ethylsulfamoyl)-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 37281759
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 42923150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 46512947) is 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NC(c2cccc(F)c2)c2nccn2C)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is BSJWTEZZLAEBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O3S/c1-13(2)26-31(29,30)16-7-8-18(22)17(12-16)21(28)25-19(20-24-9-10-27(20)3)14-5-4-6-15(23)11-14/h4-13,19,26H,1-3H3,(H,25,28).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 464.95 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46512947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).