Chemical ID: 4684143

c1ccc2c(c1)nnn2S(=O)(=O)c3ccccc3Cl
Chemical ID:
4684143
Name [?]:
1-(2-chlorophenyl)sulfonylbenzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2S(=O)(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C12H8ClN3O2S/c13-9-5-1-4-8-12(9)19(17,18)16-11-7-3-2-6-10(11)14-15-16/h1-8H
InChi Info:
AuxInfo=1/0/N:16,1,2,15,17,6,3,14,18,5,4,13,19,7,8,9,11,12,10/E:(17,18)/CRV:19.6/rA:19nCCCCCCNNNSOOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8ClN3O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.40233
Area:422.934
Solvation:-2.17103
Coulombic:-9.1248
Bond Count [?]
All:21
Single:12
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.73
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.61
LogP (Chemaxon):3.29

Name Annotations

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Descriptor Annotations

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