2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide

C16H13Cl2N3O3S — CID 31763987

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H13Cl2N3O3S/c1-21(25(23,24)15-4-2-11(9-19)3-5-15)10-16(22)20-14-7-12(17)6-13(18)8-14/h2-8H,10H2,1H3,(H,20,22)
InChIKeyCQKOFWWGOVDYEX-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.12
Rot. Bonds5

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 31763987) has the molecular formula C16H13Cl2N3O3S and a molecular weight of 398.27 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
PubChem CID31763987
Molecular FormulaC16H13Cl2N3O3S
Molecular Weight398.27 g/mol
Exact Mass397.01
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H13Cl2N3O3S/c1-21(25(23,24)15-4-2-11(9-19)3-5-15)10-16(22)20-14-7-12(17)6-13(18)8-14/h2-8H,10H2,1H3,(H,20,22)
InChIKeyCQKOFWWGOVDYEX-UHFFFAOYSA-N
XLogP3.12
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
N-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
N-(3,5-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464486
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55543607
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 32925814
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 24664138
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 32897387
N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 24664354
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100792366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide (CID 31763987) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide is CN(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is CQKOFWWGOVDYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S/c1-21(25(23,24)15-4-2-11(9-19)3-5-15)10-16(22)20-14-7-12(17)6-13(18)8-14/h2-8H,10H2,1H3,(H,20,22).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 398.27 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 31763987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).