Chemical ID: 3999194

CSCCC(C(=O)O)NS(=O)(=O)c1cc(ccc1Cl)Cl
Chemical ID:
3999194
Name [?]:
2-(2,5-dichlorophenyl)sulfonylamino-4-methylsulfanyl-butanoic acid
SMILES [?]:
CSCCC(C(=O)O)NS(=O)(=O)c1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C11H13Cl2NO4S2/c1-19-5-4-9(11(15)16)14-20(17,18)10-6-7(12)2-3-8(10)13/h2-3,6,9,14H,4-5H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,16,17,4,3,14,15,18,5,13,6,20,19,9,7,8,11,12,2,10/E:(15,16)(17,18)/CRV:20.6/rA:20cCSCCCCOONSOOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13Cl2NO4S2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.6082
Area:502.171
Solvation:-3.94606
Coulombic:-39.1961
Bond Count [?]
All:20
Single:14
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:358.263
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.99
LogP (Chemaxon):2.57

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