Chemical ID: 3941158

CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)NCCc3ccccc3
Chemical ID:
3941158
Name [?]:
1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-phenethyl-pyrrolidine-2-carboxamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)NCCc3ccccc3
InChi [?]:
InChI=1/C21H27N3O5S2/c1-23(2)30(26,27)18-10-12-19(13-11-18)31(28,29)24-16-6-9-20(24)21(25)22-15-14-17-7-4-3-5-8-17/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,29,28,30,18,27,31,19,8,12,9,11,25,24,17,26,7,10,20,21,23,2,16,22,5,6,14,15,4,13/E:(1,2)(4,5)(7,8)(10,11)(12,13)(26,27)(28,29)/CRV:30.6,31.6/rA:31cCNCSOOCCCCCCSOONCCCCCONCCCCCCCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;d13;s13;s16;s17;s18;s16s19;s20;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O5S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:11.3264
Area:686.905
Solvation:-5.84624
Coulombic:-34.7198
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:465.588
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.85
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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