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Chemical ID: 4748276
Chemical ID:
4748276
Name [?]:
2,5-dichloro-N-(1-ethynylcyclohexyl)-benzenesulfonamide
SMILES [?]:
C#CC1(CCCCC1)NS(=O)(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C14H15Cl2NO2S/c1-2-14(8-4-3-5-9-14)17-20(18,19)13-10-11(15)6-7-12(13)16/h1,6-7,10,17H,3-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,5,7,16,17,4,8,14,15,18,13,3,20,19,9,11,12,10/E:(4,5)(8,9)(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCClCl/rB:t1;s2;s3;s4;s5;s6;s3s7;s3;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15Cl2NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49152 |
Area: | 455.895 |
Solvation: | -1.90585 |
Coulombic: | -16.3652 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 332.246 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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