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Chemical ID: 4481605
Chemical ID:
4481605
Name [?]:
N-[(2-chlorophenyl)methyl]-2-(methyl-phenylsulfonyl-amino)-benzamide
SMILES [?]:
CN(c1ccccc1C(=O)NCc2ccccc2Cl)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C21H19ClN2O3S/c1-24(28(26,27)17-10-3-2-4-11-17)20-14-8-6-12-18(20)21(25)23-15-16-9-5-7-13-19(16)22/h2-14H,15H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,15,6,16,5,14,24,28,7,17,4,12,13,23,8,18,3,9,19,11,2,10,21,22,20/E:(3,4)(10,11)(26,27)/CRV:28.6/rA:28cCNCCCCCCCONCCCCCCCClSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s2;d20;d20;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19ClN2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6471 |
Area: | 603.971 |
Solvation: | -3.4522 |
Coulombic: | -32.0009 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.906 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.01 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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