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Chemical ID: 3965927
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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