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Chemical ID: 4498967
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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