Chemical ID: 4774297

COc1ccc(cc1OC)CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
Chemical ID:
4774297
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILES [?]:
COc1ccc(cc1OC)CCNS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F
InChi [?]:
InChI=1/C18H17F6NO4S/c1-28-15-4-3-11(7-16(15)29-2)5-6-25-30(26,27)14-9-12(17(19,20)21)8-13(10-14)18(22,23)24/h3-4,7-10,25H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,11,12,7,20,18,22,6,19,21,17,3,8,27,23,28,29,30,24,25,26,13,15,16,2,9,14/E:(9,10)(12,13)(17,18)(19,20,21,22,23,24)(26,27)/CRV:30.6/rA:30nCOCCCCCCOCCCNSOOCCCCCCCFFFCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;d14;s14;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s19;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17F6NO4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.60789
Area:623.01
Solvation:-7.96735
Coulombic:-61.0864
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:457.388
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.15
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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