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Chemical ID: 3881571
Chemical ID:
3881571
Name [?]:
1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-ol
SMILES [?]:
c1cc(ccc1S(=O)(=O)N2CCCC2)S(=O)(=O)N3CCC(CC3)O
InChi [?]:
InChI=1/C15H22N2O5S2/c18-13-7-11-17(12-8-13)24(21,22)15-5-3-14(4-6-15)23(19,20)16-9-1-2-10-16/h3-6,13,18H,1-2,7-12H2
InChi Info:
AuxInfo=1/0/N:12,13,1,5,2,4,20,22,11,14,19,23,21,6,3,10,18,24,8,9,16,17,7,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(19,20)(21,22)/CRV:23.6,24.6/rA:24nCCCCCCSOONCCCCSOONCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s10s13;s3;d15;d15;s15;s18;s19;s20;s21;s18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O5S2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15461 |
Area: | 547.771 |
Solvation: | -4.53966 |
Coulombic: | -29.8251 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.54 |
LogP (Chemaxon): | 0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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