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Chemical ID: 5393308
Chemical ID:
5393308
Name [?]:
N-(3-chloro-2-pyrrolidin-1-yl-phenyl)-2-phenylsulfonyl-acetamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)CC(=O)Nc2cccc(c2N3CCCC3)Cl
InChi [?]:
InChI=1/C18H19ClN2O3S/c19-15-9-6-10-16(18(15)21-11-4-5-12-21)20-17(22)13-25(23,24)14-7-2-1-3-8-14/h1-3,6-10H,4-5,11-13H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,23,16,3,5,17,15,21,24,10,4,18,14,11,19,25,13,20,12,8,9,7/E:(2,3)(4,5)(7,8)(11,12)(23,24)/CRV:25.6/rA:25nCCCCCCSOOCCONCCCCCCNCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s21;s22;s20s23;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19ClN2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22254 |
Area: | 551.781 |
Solvation: | -4.572 |
Coulombic: | -30.5355 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 378.874 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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