Chemical ID: 6575393

CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)n2c3ccccc3nn2
Chemical ID:
6575393
Name [?]:
5-benzotriazol-1-ylcarbonyl-2-chloro-N,N-diethyl-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)n2c3ccccc3nn2
InChi [?]:
InChI=1/C17H17ClN4O3S/c1-3-21(4-2)26(24,25)16-11-12(9-10-13(16)18)17(23)22-15-8-6-5-7-14(15)19-20-22/h5-11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,22,21,23,20,12,13,10,11,14,24,19,9,16,15,25,26,3,18,17,7,8,6/E:(1,2)(3,4)(24,25)/CRV:26.6/rA:26nCCNCCSOOCCCCCCClCONCCCCCCNN/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s11;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s18d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClN4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0728
Area:548.816
Solvation:-2.64756
Coulombic:-24.094
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.861
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.98
LogP (Chemaxon):3.12

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