N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide

C14H10Cl3NO3S — CID 1488183

IUPACN-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl
InChIInChI=1S/C14H10Cl3NO3S/c15-10-6-5-9(7-12(10)17)22(20,21)8-14(19)18-13-4-2-1-3-11(13)16/h1-7H,8H2,(H,18,19)
InChIKeySHCMIMNITPATDV-UHFFFAOYSA-N
MW378.66 g/mol
LogP4.06
Rot. Bonds4

About N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide

N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide (PubChem CID 1488183) has the molecular formula C14H10Cl3NO3S and a molecular weight of 378.66 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide
PubChem CID1488183
Molecular FormulaC14H10Cl3NO3S
Molecular Weight378.66 g/mol
Exact Mass376.94
IUPAC NameN-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl
InChIInChI=1S/C14H10Cl3NO3S/c15-10-6-5-9(7-12(10)17)22(20,21)8-14(19)18-13-4-2-1-3-11(13)16/h1-7H,8H2,(H,18,19)
InChIKeySHCMIMNITPATDV-UHFFFAOYSA-N
XLogP4.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
(E)-2,3-dichloro-N-(2-chlorophenyl)-3-(phenylsulfinyl)-2-propenamide
CID 1473969
2-(3-chlorobenzenesulfonyl)-N-methyl-N-phenylacetamide
CID 1488248
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 2566083
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
CID 4237823
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfinyl]acetamide
CID 4358481
3-(4-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4425333
N-(4-chlorophenyl)-2-(phenylsulfonyl)acetamide
CID 892271
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
CID 302745
N-(2-chloro-5-methylsulfonylphenyl)-4-phenylsulfanylbutanamide
CID 4882591
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 1327534

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide (CID 1488183) is N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide is O=C(CS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide?
The InChIKey is SHCMIMNITPATDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO3S/c15-10-6-5-9(7-12(10)17)22(20,21)8-14(19)18-13-4-2-1-3-11(13)16/h1-7H,8H2,(H,18,19).
What are the key properties of N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide?
N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide has a molecular weight of 378.66 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)sulfonylacetamide is sourced from PubChem (CID 1488183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).