Chemical ID: 5636228

c1cc2cccc3c2c(c1)N(S3(=O)=O)CC(=O)Nc4cccc(c4)Cl
Chemical ID:
5636228
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)N(S3(=O)=O)CC(=O)Nc4cccc(c4)Cl
InChi [?]:
InChI=1/C18H13ClN2O3S/c19-13-6-3-7-14(10-13)20-17(22)11-21-15-8-1-4-12-5-2-9-16(18(12)15)25(21,23)24/h1-10H,11H2,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,21,2,4,22,20,10,6,24,15,3,23,19,9,7,16,8,25,18,11,17,13,14,12/E:(23,24)/CRV:25.6/rA:25cCCCCCCCCCCNSOOCCONCCCCCCCl/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s7s11;d12;d12;s11;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.62612
Area:539.543
Solvation:-3.86246
Coulombic:-28.5316
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:372.826
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.88
LogP (Chemaxon):3.41

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