N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

C12H13ClN4O3S — CID 122176217

IUPACN-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H13ClN4O3S/c1-17(21(19,20)12-6-14-8-15-12)7-11(18)16-10-4-2-3-9(13)5-10/h2-6,8H,7H2,1H3,(H,14,15)(H,16,18)
InChIKeyXXKBTMBJLKFWFI-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.32
Rot. Bonds5

About N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (PubChem CID 122176217) has the molecular formula C12H13ClN4O3S and a molecular weight of 328.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
PubChem CID122176217
Molecular FormulaC12H13ClN4O3S
Molecular Weight328.78 g/mol
Exact Mass328.04
IUPAC NameN-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H13ClN4O3S/c1-17(21(19,20)12-6-14-8-15-12)7-11(18)16-10-4-2-3-9(13)5-10/h2-6,8H,7H2,1H3,(H,14,15)(H,16,18)
InChIKeyXXKBTMBJLKFWFI-UHFFFAOYSA-N
XLogP1.32
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
CID 20888599
N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 26942310
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
2-[(5-chloro-2-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 46418498
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
2-(3-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
CID 1082246
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
CID 113152943
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (CID 122176217) is N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is XXKBTMBJLKFWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3S/c1-17(21(19,20)12-6-14-8-15-12)7-11(18)16-10-4-2-3-9(13)5-10/h2-6,8H,7H2,1H3,(H,14,15)(H,16,18).
What are the key properties of N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 328.78 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 122176217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).