Chemical ID: 7282952

CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C)CC(=O)NCC(F)(F)F
Chemical ID:
7282952
Name [?]:
2-[methyl-(4-methylamino-3-nitro-phenyl)sulfonyl-amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILES [?]:
CNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N(C)CC(=O)NCC(F)(F)F
InChi [?]:
InChI=1/C12H15F3N4O5S/c1-16-9-4-3-8(5-10(9)19(21)22)25(23,24)18(2)6-11(20)17-7-12(13,14)15/h3-5,16H,6-7H2,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,16,5,4,7,17,21,6,3,8,18,22,23,24,25,2,20,15,9,19,10,11,13,14,12/E:(13,14,15)(21,22)(23,24)/CRV:19.5,25.6/rA:25cCNCCCCCCN+OO-SOONCCCONCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s6;d12;d12;s12;s15;s15;s17;d18;s18;s20;s21;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15F3N4O5S
All Atoms:40
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:3.94476
Area:534.298
Solvation:-9.41269
Coulombic:-67.7128
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:384.333
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:1.77
LogP (Chemaxon):1.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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