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Chemical ID: 7280595
Chemical ID:
7280595
Name [?]:
N,N-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-benzenesulfonamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccccc3
InChi [?]:
InChI=1/C18H23N3O4S2/c1-19(2)26(22,23)17-8-10-18(11-9-17)27(24,25)21-14-12-20(13-15-21)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,25,24,26,23,27,8,12,9,11,18,20,17,21,22,7,10,2,19,16,5,6,14,15,4,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(22,23)(24,25)/CRV:26.6,27.6/rA:27nCNCSOOCCCCCCSOONCCNCCCCCCCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;d13;s13;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O4S2 |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9539 |
Area: | 596.746 |
Solvation: | -3.96474 |
Coulombic: | -21.0863 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.525 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.01 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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