2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide

C16H17ClN2O3S — CID 155538240

IUPAC2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1-c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-10-13(18-16(20)11-17)8-9-14(15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyPVKKNPBCIKTBNJ-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.78
Rot. Bonds5

About 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide

2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide (PubChem CID 155538240) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide
PubChem CID155538240
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1-c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-10-13(18-16(20)11-17)8-9-14(15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyPVKKNPBCIKTBNJ-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-chloro-4-(dimethylsulfamoyl)phenyl]acetamide
CID 172616646
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
N,N-dimethyl-2-phenylbenzenesulfonamide
CID 19014102
N-(3-chlorophenyl)-2-[[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-methylamino]acetamide
CID 55680503
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3928747
N-(3,4-diphenylphenyl)propanamide
CID 151136333
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide (CID 155538240) is 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide?
The InChIKey is PVKKNPBCIKTBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-19(2)23(21,22)15-10-13(18-16(20)11-17)8-9-14(15)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide?
2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide has a molecular weight of 352.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylsulfamoyl)-4-phenylphenyl]acetamide is sourced from PubChem (CID 155538240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).