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Chemical ID: 4214461
Chemical ID:
4214461
Name [?]:
1-phenylsulfonylindole
SMILES [?]:
c1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3
InChi [?]:
InChI=1/C14H11NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,17,16,18,3,5,15,12,11,13,4,14,10,8,9,7/E:(2,3)(7,8)(16,17)/CRV:18.6/rA:18nCCCCCCSOONCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s12;s10s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11NO2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37499 |
Area: | 408.745 |
Solvation: | -1.84364 |
Coulombic: | -9.73511 |
Bond Count [?]
All: | 20 |
Single: | 11 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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