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Chemical ID: 7274854
Chemical ID:
7274854
Name [?]:
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
SMILES [?]:
c1ccnc(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H14ClN3O3S/c19-13-4-3-5-15(12-13)22-26(24,25)16-9-7-14(8-10-16)21-18(23)17-6-1-2-11-20-17/h1-12,22H,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,21,6,11,15,12,14,3,25,24,10,20,13,5,7,26,4,9,19,8,17,18,16/E:(7,8)(9,10)(24,25)/CRV:26.6/rA:26nCCCNCCCONCCCCCCSOONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;d16;s16;s19;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClN3O3S |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6771 |
Area: | 581.713 |
Solvation: | -2.86574 |
Coulombic: | -41.077 |
Bond Count [?]
All: | 28 |
Single: | 16 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 387.841 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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