Chemical ID: 6451841

Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
Chemical ID:
6451841
Name [?]:
N-benzotriazol-1-yl-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
InChi [?]:
InChI=1/C13H12N4O2S/c1-10-6-8-11(9-7-10)20(18,19)16-17-13-5-3-2-4-12(13)14-15-17/h2-9,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,3,7,4,6,2,5,18,13,19,20,11,12,9,10,8/E:(6,7)(8,9)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONNCCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;d14;s15;d16;d13s17;s18;s12d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N4O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.56498
Area:450.372
Solvation:-2.69433
Coulombic:-13.4621
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:288.326
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.75
LogP (Chemaxon):3.06

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