Chemical ID: 3881571

c1cc(ccc1S(=O)(=O)N2CCCC2)S(=O)(=O)N3CCC(CC3)O
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

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