Chemical ID: 7528572

CN(c1cccc(c1)NS(=O)(=O)c2ccc(c(c2)Cl)OC)S(=O)(=O)C
Chemical ID:
7528572
Name [?]:
3-chloro-4-methoxy-N-[3-(methyl-methylsulfonyl-amino)phenyl]-benzenesulfonamide
SMILES [?]:
CN(c1cccc(c1)NS(=O)(=O)c2ccc(c(c2)Cl)OC)S(=O)(=O)C
InChi [?]:
InChI=1/C15H17ClN2O5S2/c1-18(24(3,19)20)12-6-4-5-11(9-12)17-25(21,22)13-7-8-15(23-2)14(16)10-13/h4-10,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,25,5,6,4,14,15,8,18,7,3,13,17,16,19,9,2,23,24,11,12,20,22,10/E:(19,20)(21,22)/CRV:24.6,25.6/rA:25cCNCCCCCCNSOOCCCCCCClOCSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s16;s20;s2;d22;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17ClN2O5S2
All Atoms:42
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:8.75929
Area:570.44
Solvation:-5.50171
Coulombic:-22.8182
Bond Count [?]
All:26
Single:16
Double:10
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.06
LogP (Chemaxon):None

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