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Chemical ID: 6392982
Chemical ID:
6392982
Name [?]:
4-chloro-N-[6-(4-chlorophenyl)sulfonylaminohexyl]benzenesulfonamide
SMILES [?]:
c1cc(ccc1S(=O)(=O)NCCCCCCNS(=O)(=O)c2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C18H22Cl2N2O4S2/c19-15-5-9-17(10-6-15)27(23,24)21-13-3-1-2-4-14-22-28(25,26)18-11-7-16(20)8-12-18/h5-12,21-22H,1-4,13-14H2
InChi Info:
AuxInfo=1/0/N:13,14,12,15,2,4,23,25,1,5,22,26,11,16,3,24,6,21,28,27,10,17,8,9,19,20,7,18/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24,25,26)(27,28)/CRV:27.6,28.6/rA:28nCCCCCCSOONCCCCCCNSOOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s15;s16;s17;d18;d18;s18;s21;d22;s23;d24;d21s25;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22Cl2N2O4S2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.2903 |
Area: | 714.063 |
Solvation: | -3.56129 |
Coulombic: | -26.3676 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 465.416 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.21 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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