Chemical ID: 6832743

CCC(C)C(C(=O)[O-])NS(=O)(=O)c1ccc(cc1)Cl
Chemical ID:
6832743
Name [?]:
2-(4-chlorophenyl)sulfonylamino-3-methyl-pentanoate
SMILES [?]:
CCC(C)C(C(=O)[O-])NS(=O)(=O)c1ccc(cc1)Cl
InChi [?]:
InChI=1/C12H16ClNO4S/c1-3-8(2)11(12(15)16)14-19(17,18)10-6-4-9(13)5-7-10/h4-8,11,14H,3H2,1-2H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,2,15,17,14,18,3,16,13,5,6,19,9,7,8,11,12,10/E:(4,5)(6,7)(15,16)(17,18)/CRV:19.6/rA:19cCCCCCCOO-NSOOCCCCCCCl/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15ClNO4S-
All Atoms:34
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:-31.5058
Area:477.818
Solvation:-43.4513
Coulombic:-12.6025
Bond Count [?]
All:19
Single:13
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.771
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.14
LogP (Chemaxon):2.79

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