Chemical ID: 4214461

c1ccc(cc1)S(=O)(=O)n2ccc3c2cccc3
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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Descriptor Annotations

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