Chemical ID: 4498967

COc1ccc(c(c1)NS(=O)(=O)c2ccc(c(c2)Cl)OC)OC
Chemical ID:
4498967
Name [?]:
3-chloro-N-(2,5-dimethoxyphenyl)-4-methoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(c(c1)NS(=O)(=O)c2ccc(c(c2)Cl)OC)OC
InChi [?]:
InChI=1/C15H16ClNO5S/c1-20-10-4-6-15(22-3)13(8-10)17-23(18,19)11-5-7-14(21-2)12(16)9-11/h4-9,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,23,4,14,5,15,8,18,3,13,17,7,16,6,19,9,11,12,2,20,22,10/E:(18,19)/CRV:23.6/rA:23nCOCCCCCCNSOOCCCCCCClOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s16;s20;s6;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16ClNO5S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.44972
Area:526.903
Solvation:-5.72285
Coulombic:-33.3144
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:357.81
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.08
LogP (Chemaxon):2.37

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Descriptor Annotations

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