4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C16H14Cl2F3NO3S2 — CID 67973663

IUPAC4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H14Cl2F3NO3S2/c1-2-7-26(23)15-6-3-10(17)8-14(15)22-27(24,25)11-4-5-13(18)12(9-11)16(19,20)21/h3-6,8-9,22H,2,7H2,1H3
InChIKeyOGXUUGBKAASNBG-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.33
Rot. Bonds6

About 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 67973663) has the molecular formula C16H14Cl2F3NO3S2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID67973663
Molecular FormulaC16H14Cl2F3NO3S2
Molecular Weight460.33 g/mol
Exact Mass458.97
IUPAC Name4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H14Cl2F3NO3S2/c1-2-7-26(23)15-6-3-10(17)8-14(15)22-27(24,25)11-4-5-13(18)12(9-11)16(19,20)21/h3-6,8-9,22H,2,7H2,1H3
InChIKeyOGXUUGBKAASNBG-UHFFFAOYSA-N
XLogP5.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfinylethyl]acetamide
CID 57377560
4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
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
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
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylacetamide
CID 67972274
4-chloro-N-(2,4-difluoro-3-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 156833204
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
4-chloro-N-(5-chloro-2-methylsulfinylphenyl)-3-methylbenzenesulfonamide
CID 57378758
4-chloro-N-(4-ethylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038589

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 67973663) is 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide is CCCS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OGXUUGBKAASNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F3NO3S2/c1-2-7-26(23)15-6-3-10(17)8-14(15)22-27(24,25)11-4-5-13(18)12(9-11)16(19,20)21/h3-6,8-9,22H,2,7H2,1H3.
What are the key properties of 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 460.33 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-propylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 67973663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).