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

C22H25ClN4O4S — CID 55492162

IUPAC2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccccc1C(NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl)c1nccn1C
InChIInChI=1S/C22H25ClN4O4S/c1-14(2)26-32(29,30)15-9-10-18(23)17(13-15)22(28)25-20(21-24-11-12-27(21)3)16-7-5-6-8-19(16)31-4/h5-14,20,26H,1-4H3,(H,25,28)
InChIKeyFQFKONZIGNCTOT-UHFFFAOYSA-N
MW476.99 g/mol
LogP3.29
Rot. Bonds8

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

2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 55492162) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID55492162
Molecular FormulaC22H25ClN4O4S
Molecular Weight476.99 g/mol
Exact Mass476.13
IUPAC Name2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccccc1C(NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl)c1nccn1C
InChIInChI=1S/C22H25ClN4O4S/c1-14(2)26-32(29,30)15-9-10-18(23)17(13-15)22(28)25-20(21-24-11-12-27(21)3)16-7-5-6-8-19(16)31-4/h5-14,20,26H,1-4H3,(H,25,28)
InChIKeyFQFKONZIGNCTOT-UHFFFAOYSA-N
XLogP3.29
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide
CID 51728102
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46512947
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
CID 51269492
methyl 4-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]benzoate
CID 25352670
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 41023767
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide (CID 55492162) is 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide is COc1ccccc1C(NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl)c1nccn1C.
What is the InChIKey of 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is FQFKONZIGNCTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-14(2)26-32(29,30)15-9-10-18(23)17(13-15)22(28)25-20(21-24-11-12-27(21)3)16-7-5-6-8-19(16)31-4/h5-14,20,26H,1-4H3,(H,25,28).
What are the key properties of 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 476.99 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 55492162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).