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Chemical ID: 3965996
Chemical ID:
3965996
Name [?]:
2-chloro-5-(1-hydroxy-3-oxo-isoindolin-1-yl)-benzenesulfonamide
SMILES [?]:
c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O
InChi [?]:
InChI=1/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,16,11,5,4,14,15,7,10,21,20,9,8,22,18,19,17/E:(20,21)/CRV:22.6/rA:22cCCCCCCCONCCCCCCCSOONClO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s10;s11;d12;s13;d14;d11s15;s15;d17;d17;s17;s14;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClN2O4S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.98627 |
Area: | 483.422 |
Solvation: | -4.09928 |
Coulombic: | -55.971 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 338.767 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 1.29 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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