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Chemical ID: 7096473
Chemical ID:
7096473
Name [?]:
N-(3-chlorophenyl)-1-methyl-2-oxo-indoline-5-sulfonamide
SMILES [?]:
CN1c2ccc(cc2CC1=O)S(=O)(=O)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C15H13ClN2O3S/c1-18-14-6-5-13(7-10(14)8-15(18)19)22(20,21)17-12-4-2-3-11(16)9-12/h2-7,9,17H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,5,4,7,9,21,8,20,16,6,3,10,22,15,2,11,13,14,12/E:(20,21)/CRV:22.6/rA:22nCNCCCCCCCCOSOONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s6;d12;d12;s12;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O3S |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.37654 |
Area: | 500.536 |
Solvation: | -3.13685 |
Coulombic: | -27.3468 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 336.794 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.24 |
LogP (Chemaxon): | 2.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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