Chemical ID: 4069882

CC(C)Oc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)OC(F)(F)F
Chemical ID:
4069882
Name [?]:
N-(4-isopropoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILES [?]:
CC(C)Oc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)OC(F)(F)F
InChi [?]:
InChI=1/C16H16F3NO4S/c1-11(2)23-13-5-3-12(4-6-13)20-25(21,22)15-9-7-14(8-10-15)24-16(17,18)19/h3-11,20H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,9,6,10,17,19,16,20,2,8,5,18,15,22,23,24,25,11,13,14,4,21,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(17,18,19)(21,22)/CRV:25.6/rA:25nCCCOCCCCCCNSOOCCCCCCOCFFF/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16F3NO4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.99748
Area:530.415
Solvation:-3.2629
Coulombic:-52.1416
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.364
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.68
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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