N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide

C17H16Cl2N6O3S — CID 4304927

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C17H16Cl2N6O3S/c1-24(2)29(27,28)11-7-8-14(19)15(9-11)20-16(26)10-25-22-17(21-23-25)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3,(H,20,26)
InChIKeyHGXPHPTWCBBGBR-UHFFFAOYSA-N
MW455.33 g/mol
LogP2.54
Rot. Bonds6

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide (PubChem CID 4304927) has the molecular formula C17H16Cl2N6O3S and a molecular weight of 455.33 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
PubChem CID4304927
Molecular FormulaC17H16Cl2N6O3S
Molecular Weight455.33 g/mol
Exact Mass454.04
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C17H16Cl2N6O3S/c1-24(2)29(27,28)11-7-8-14(19)15(9-11)20-16(26)10-25-22-17(21-23-25)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3,(H,20,26)
InChIKeyHGXPHPTWCBBGBR-UHFFFAOYSA-N
XLogP2.54
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4022238
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149
N-(3-chloro-4-cyanophenyl)-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634919
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4845449
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
CID 51170623
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 16618242
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3901581

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide (CID 4304927) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is HGXPHPTWCBBGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O3S/c1-24(2)29(27,28)11-7-8-14(19)15(9-11)20-16(26)10-25-22-17(21-23-25)12-5-3-4-6-13(12)18/h3-9H,10H2,1-2H3,(H,20,26).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 455.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 4304927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).