Chemical ID: 4748276

C#CC1(CCCCC1)NS(=O)(=O)c2cc(ccc2Cl)Cl
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

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Descriptor Annotations

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