Chemical ID: 6706468

CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)[N-]c3ccccc3
Chemical ID:
6706468
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-phenyl-azanide
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)[N-]c3ccccc3
InChi [?]:
InChI=1/C16H15N2O3S/c1-12(19)18-10-9-13-11-15(7-8-16(13)18)22(20,21)17-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,10,9,6,5,12,2,7,17,11,8,16,4,3,14,15,13/E:(3,4)(5,6)(20,21)/CRV:17-1,22.6/rA:22nCCONCCCCCCCCSOON-CCCCCC/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N2O3S-
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-24.1765
Area:495.507
Solvation:-36.5642
Coulombic:12.751
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.368
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.8
LogP (Chemaxon):1.69

Name Annotations

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Descriptor Annotations

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