Chemical ID: 3965927

Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F
Chemical ID:
3965927
Name [?]:
4-[5-(p-tolyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F
InChi [?]:
InChI=1/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,14,18,15,17,9,2,5,13,16,8,10,23,24,25,26,22,11,12,20,21,19/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)(24,25)/CRV:26.6/rA:26nCCCCCCCCCCNNCCCCCCSOONCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;d19;d19;s19;s10;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14F3N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.9198
Area:538.541
Solvation:-3.54374
Coulombic:-41.4258
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.373
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.85
LogP (Chemaxon):3.83

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Experimental Annotations

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Descriptor Annotations

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