Chemical ID: 3965996

c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue