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Chemical ID: 6984221
Chemical ID:
6984221
Name [?]:
N-[4-(cyclohexylsulfamoyl)phenyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)S(=O)(=O)NC3CCCCC3
InChi [?]:
InChI=1/C19H24N2O4S2/c1-15-7-11-18(12-8-15)26(22,23)21-17-9-13-19(14-10-17)27(24,25)20-16-5-3-2-4-6-16/h7-14,16,20-21H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,23,27,3,7,13,17,4,6,14,16,2,22,12,5,15,21,11,9,10,19,20,8,18/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(22,23)(24,25)/CRV:26.6,27.6/rA:27nCCCCCCCSOONCCCCCCSOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2O4S2 |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1988 |
Area: | 566.914 |
Solvation: | -2.97409 |
Coulombic: | -25.6557 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.537 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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