N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide

C17H15Cl2F3N2O4S2 — CID 57377560

IUPACN-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide
SMILESCC(=O)NCCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O4S2/c1-10(25)23-6-7-29(26)16-5-2-11(18)8-15(16)24-30(27,28)12-3-4-14(19)13(9-12)17(20,21)22/h2-5,8-9,24H,6-7H2,1H3,(H,23,25)
InChIKeyYMUJCRJWNDTNHX-UHFFFAOYSA-N
MW503.35 g/mol
LogP4.06
Rot. Bonds7

About N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide

N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide (PubChem CID 57377560) has the molecular formula C17H15Cl2F3N2O4S2 and a molecular weight of 503.35 g/mol. Its IUPAC name is N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide
PubChem CID57377560
Molecular FormulaC17H15Cl2F3N2O4S2
Molecular Weight503.35 g/mol
Exact Mass501.98
IUPAC NameN-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide
SMILESCC(=O)NCCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O4S2/c1-10(25)23-6-7-29(26)16-5-2-11(18)8-15(16)24-30(27,28)12-3-4-14(19)13(9-12)17(20,21)22/h2-5,8-9,24H,6-7H2,1H3,(H,23,25)
InChIKeyYMUJCRJWNDTNHX-UHFFFAOYSA-N
XLogP4.06
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67973663
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N-methylacetamide
CID 57378760
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N-methylacetamide
CID 57378764
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylacetamide
CID 67972274
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,5-dichlorophenyl)propanamide
CID 4843823
4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-fluorobenzoic acid
CID 59303000
4-[[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonylmethyl]benzoic acid
CID 71738628
methyl 4-[[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanylmethyl]benzoate
CID 71738701
bis[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-oxophosphanium
CID 88537963
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
methyl 2-[[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanylmethyl]benzoate
CID 71738286

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide?
The IUPAC name of N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide (CID 57377560) is N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide.
What is the SMILES notation for N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide?
The canonical SMILES for N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide is CC(=O)NCCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide?
The InChIKey is YMUJCRJWNDTNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O4S2/c1-10(25)23-6-7-29(26)16-5-2-11(18)8-15(16)24-30(27,28)12-3-4-14(19)13(9-12)17(20,21)22/h2-5,8-9,24H,6-7H2,1H3,(H,23,25).
What are the key properties of N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide?
N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide has a molecular weight of 503.35 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide is sourced from PubChem (CID 57377560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).