Chemical ID: 6415444

Cc1cc(cc(c1)NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c3ccccc3)C
Chemical ID:
6415444
Name [?]:
N-(3,5-dimethylphenyl)-2-[phenylsulfonyl-[3-(trifluoromethyl)phenyl]-amino]-acetamide
SMILES [?]:
Cc1cc(cc(c1)NC(=O)CN(c2cccc(c2)C(F)(F)F)S(=O)(=O)c3ccccc3)C
InChi [?]:
InChI=1/C23H21F3N2O3S/c1-16-11-17(2)13-19(12-16)27-22(29)15-28(32(30,31)21-9-4-3-5-10-21)20-8-6-7-18(14-20)23(24,25)26/h3-14H,15H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,32,29,28,30,15,16,14,27,31,3,7,5,18,11,2,4,17,6,13,26,9,19,20,21,22,8,12,10,24,25,23/E:(1,2)(4,5)(9,10)(12,13)(16,17)(24,25,26)(30,31)/CRV:32.6/rA:32cCCCCCCCNCOCNCCCCCCCFFFSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;s12;d23;d23;s23;s26;d27;s28;d29;d26s30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21F3N2O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.6268
Area:630.028
Solvation:-4.12386
Coulombic:-48.2602
Bond Count [?]
All:34
Single:22
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:462.486
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.81
LogP (Chemaxon):5.75

Name Annotations

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Descriptor Annotations

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