N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide

C14H7Cl2F6NO2S — CID 25022575

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H7Cl2F6NO2S/c15-9-4-10(16)6-12(5-9)26(24,25)23-11-2-7(13(17,18)19)1-8(3-11)14(20,21)22/h1-6,23H
InChIKeyMCIZGOQWUXVZJP-UHFFFAOYSA-N
MW438.18 g/mol
LogP5.83
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide

N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide (PubChem CID 25022575) has the molecular formula C14H7Cl2F6NO2S and a molecular weight of 438.18 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
PubChem CID25022575
Molecular FormulaC14H7Cl2F6NO2S
Molecular Weight438.18 g/mol
Exact Mass436.95
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H7Cl2F6NO2S/c15-9-4-10(16)6-12(5-9)26(24,25)23-11-2-7(13(17,18)19)1-8(3-11)14(20,21)22/h1-6,23H
InChIKeyMCIZGOQWUXVZJP-UHFFFAOYSA-N
XLogP5.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.18
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[3-bromo-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3,5-dichlorobenzenesulfonamide
CID 175722887
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 44586063
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 116699344
3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
N-[3-chloro-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 116700912
N-(4-methylsulfonylphenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 26950039
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 107652535
N-(3-bromophenyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3372952
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
3,5-dichloro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532761
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide (CID 25022575) is N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide?
The InChIKey is MCIZGOQWUXVZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F6NO2S/c15-9-4-10(16)6-12(5-9)26(24,25)23-11-2-7(13(17,18)19)1-8(3-11)14(20,21)22/h1-6,23H.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide has a molecular weight of 438.18 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 25022575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).