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Chemical ID: 4369951

c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O

Chemical ID:

4369951

Name [?]:

N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide

SMILES [?]:

c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O

InChi [?]:

InChI=1/C15H11F6NO3S/c16-14(17,18)13(23,15(19,20)21)10-6-8-11(9-7-10)22-26(24,25)12-4-2-1-3-5-12/h1-9,22-23H

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,13,15,12,16,14,11,4,17,18,22,19,20,21,23,24,25,10,26,8,9,7/E:(2,3)(4,5)(6,7)(8,9)(14,15)(16,17,18,19,20,21)(24,25)/CRV:26.6/rA:26nCCCCCCSOONCCCCCCCCFFFCFFFO/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s14;s17;s18;s18;s18;s17;s22;s22;s22;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁F₆NO₃S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.68877
Area:	492.125
Solvation:	-3.61434
Coulombic:	-67.277

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	399.309
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.54
LogP (Chemaxon):	3.83

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value