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Chemical ID: 5496173
Chemical ID:
5496173
Name [?]:
N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]quinoline-2-carboxamide
SMILES [?]:
c1ccc2c(c1)ccc(n2)C(=O)Nc3cccc(c3)S(=O)(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C22H16FN3O3S/c23-18-9-2-4-11-20(18)26-30(28,29)17-8-5-7-16(14-17)24-22(27)21-13-12-15-6-1-3-10-19(15)25-21/h1-14,26H,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,27,2,26,16,6,15,17,28,3,25,7,8,19,5,14,18,29,4,24,9,11,30,13,10,23,12,21,22,20/E:(28,29)/CRV:30.6/rA:30nCCCCCCCCCNCONCCCCCCSOONCCCCCCF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;d20;s20;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16FN3O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7915 |
Area: | 609.137 |
Solvation: | -3.4369 |
Coulombic: | -46.3769 |
Bond Count [?]
All: | 33 |
Single: | 19 |
Double: | 14 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 421.445 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.04 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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