4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C14H6Cl3F6NO2S — CID 54115765

IUPAC4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)c(Cl)cc1Cl)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H6Cl3F6NO2S/c15-9-2-1-6(3-7(9)13(18,19)20)27(25,26)24-12-4-8(14(21,22)23)10(16)5-11(12)17/h1-5,24H
InChIKeyNKFWQEIFXVPSLV-UHFFFAOYSA-N
MW472.62 g/mol
LogP6.49
Rot. Bonds3

About 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 54115765) has the molecular formula C14H6Cl3F6NO2S and a molecular weight of 472.62 g/mol. Its IUPAC name is 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID54115765
Molecular FormulaC14H6Cl3F6NO2S
Molecular Weight472.62 g/mol
Exact Mass470.91
IUPAC Name4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)c(Cl)cc1Cl)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H6Cl3F6NO2S/c15-9-2-1-6(3-7(9)13(18,19)20)27(25,26)24-12-4-8(14(21,22)23)10(16)5-11(12)17/h1-5,24H
InChIKeyNKFWQEIFXVPSLV-UHFFFAOYSA-N
XLogP6.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.62
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(5-chloro-2-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67972012
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
4-chloro-N-(2,4-difluoro-3-iodophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 156833204
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-fluorobenzoic acid
CID 59303000
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
bis[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]-oxophosphanium
CID 88537963
methyl 3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylbenzoate
CID 2108537
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 46677366
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 54115765) is 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)c(Cl)cc1Cl)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NKFWQEIFXVPSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F6NO2S/c15-9-2-1-6(3-7(9)13(18,19)20)27(25,26)24-12-4-8(14(21,22)23)10(16)5-11(12)17/h1-5,24H.
What are the key properties of 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 472.62 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 54115765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).