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Chemical ID: 6739003
Chemical ID:
6739003
Name [?]:
1-acetyl-N-(4-methoxyphenyl)-indoline-5-sulfonamide
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C17H18N2O4S/c1-12(20)19-10-9-13-11-16(7-8-17(13)19)24(21,22)18-14-3-5-15(23-2)6-4-14/h3-8,11,18H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,18,22,19,21,10,9,6,5,12,2,7,17,20,11,8,16,4,3,14,15,23,13/E:(3,4)(5,6)(21,22)/CRV:24.6/rA:24nCCONCCCCCCCCSOONCCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O4S |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48259 |
Area: | 522.103 |
Solvation: | -4.57 |
Coulombic: | -33.008 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 346.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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