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Chemical ID: 5364568
Chemical ID:
5364568
Name [?]:
N-(4-pyrrolidin-1-ylcarbonylphenyl)benzenesulfonamide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)N3CCCC3
InChi [?]:
InChI=1/C17H18N2O3S/c20-17(19-12-4-5-13-19)14-8-10-15(11-9-14)18-23(21,22)16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,21,22,3,5,13,15,12,16,20,23,14,11,4,17,10,19,18,8,9,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(21,22)/CRV:23.6/rA:23nCCCCCCSOONCCCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;s21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.9313 |
Area: | 511.256 |
Solvation: | -2.8501 |
Coulombic: | -30.6581 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 330.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.77 |
LogP (Chemaxon): | 2.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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