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Chemical ID: 5396228
Chemical ID:
5396228
Name [?]:
N-(3,5-dichlorophenyl)-2-(2-naphthylsulfonyl)acetamide
SMILES [?]:
c1ccc2cc(ccc2c1)S(=O)(=O)CC(=O)Nc3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl2NO3S/c19-14-8-15(20)10-16(9-14)21-18(22)11-25(23,24)17-6-5-12-3-1-2-4-13(12)7-17/h1-10H,11H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,7,5,21,19,23,14,9,4,20,22,18,6,15,25,24,17,16,12,13,11/E:(9,10)(14,15)(19,20)(23,24)/CRV:25.6/rA:25nCCCCCCCCCCSOOCCONCCCCCCClCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;d11;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13Cl2NO3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80605 |
Area: | 588.129 |
Solvation: | -4.89718 |
Coulombic: | -23.6459 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 394.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.17 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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