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Chemical ID: 6575393
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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