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Chemical ID: 6739048
Chemical ID:
6739048
Name [?]:
1-acetyl-N-(p-tolyl)indoline-5-sulfonamide
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C17H18N2O3S/c1-12-3-5-15(6-4-12)18-23(21,22)16-7-8-17-14(11-16)9-10-19(17)13(2)20/h3-8,11,18H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,3,7,4,6,13,14,18,19,17,2,21,16,5,12,15,8,20,22,10,11,9/E:(3,4)(5,6)(21,22)/CRV:23.6/rA:23nCCCCCCCNSOOCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3S |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67157 |
Area: | 511.287 |
Solvation: | -3.11059 |
Coulombic: | -26.8937 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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