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Chemical ID: 4235867
Chemical ID:
4235867
Name [?]:
1-acetyl-N-methyl-N-phenyl-indoline-5-sulfonamide
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N(C)c3ccccc3
InChi [?]:
InChI=1/C17H18N2O3S/c1-13(20)19-11-10-14-12-16(8-9-17(14)19)23(21,22)18(2)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,21,20,22,19,23,10,9,6,5,12,2,7,18,11,8,16,4,3,14,15,13/E:(4,5)(6,7)(21,22)/CRV:23.6/rA:23cCCONCCCCCCCCSOONCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;d13;s13;s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.43206 |
Area: | 508.535 |
Solvation: | -3.28133 |
Coulombic: | -22.4096 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 330.402 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.52 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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