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Chemical ID: 7200997
Chemical ID:
7200997
Name [?]:
2-(benzenesulfonamido)-N-[(4-chloro-3-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)NCC(=O)NN=Cc2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C15H13ClN4O5S/c16-13-7-6-11(8-14(13)20(22)23)9-17-19-15(21)10-18-26(24,25)12-4-2-1-3-5-12/h1-9,18H,10H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,19,22,16,11,17,4,20,21,12,26,15,10,14,23,13,24,25,8,9,7/E:(2,3)(4,5)(22,23)(24,25)/CRV:20.5,26.6/rA:26nCCCCCCSOONCCONNCCCCCCCN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN4O5S |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.80314 |
Area: | 597.52 |
Solvation: | -11.1349 |
Coulombic: | -40.0231 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.806 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 3.0 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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