Chemical ID: 7247864

COC(=O)C1CC(CN1S(=O)(=O)c2ccc(cc2)Cl)O
Chemical ID:
7247864
Name [?]:
methyl 1-(4-chlorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate
SMILES [?]:
COC(=O)C1CC(CN1S(=O)(=O)c2ccc(cc2)Cl)O
InChi [?]:
InChI=1/C12H14ClNO5S/c1-19-12(16)11-6-9(15)7-14(11)20(17,18)10-4-2-8(13)3-5-10/h2-5,9,11,15H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,17,14,18,6,8,16,7,13,5,3,19,9,20,4,11,12,2,10/E:(2,3)(4,5)(17,18)/CRV:20.6/rA:20cCOCOCCCCNSOOCCCCCCClO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14ClNO5S
All Atoms:34
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:7.48339
Area:479.237
Solvation:-4.49753
Coulombic:-42.6618
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.762
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.01
LogP (Chemaxon):0.96

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Descriptor Annotations

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