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Chemical ID: 3991701
Chemical ID:
3991701
Name [?]:
5-amino-2-chloro-N-(2-methoxyphenyl)-benzenesulfonamide
SMILES [?]:
COc1ccccc1NS(=O)(=O)c2cc(ccc2Cl)N
InChi [?]:
InChI=1/C13H13ClN2O3S/c1-19-12-5-3-2-4-11(12)16-20(17,18)13-8-9(15)6-7-10(13)14/h2-8,16H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,16,17,14,15,18,8,3,13,19,20,9,11,12,2,10/E:(17,18)/CRV:20.6/rA:20nCOCCCCCCNSOOCCCCCCClN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13ClN2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05651 |
Area: | 461.461 |
Solvation: | -3.48002 |
Coulombic: | -36.2458 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.773 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.43 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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