Chemical ID: 7258762

CC(C)(C)C(=O)COC(=O)c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2
Chemical ID:
7258762
Name [?]:
(3,3-dimethyl-2-oxo-butyl) 4-(methyl-phenyl-sulfamoyl)benzoate
SMILES [?]:
CC(C)(C)C(=O)COC(=O)c1ccc(cc1)S(=O)(=O)N(C)c2ccccc2
InChi [?]:
InChI=1/C20H23NO5S/c1-20(2,3)18(22)14-26-19(23)15-10-12-17(13-11-15)27(24,25)21(4)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,25,24,26,23,27,12,16,13,15,7,11,22,14,5,9,2,20,6,10,18,19,8,17/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)(24,25)/CRV:27.6/rA:27cCCCCCOCOCOCCCCCCSOONCCCCCCC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;d17;d17;s17;s20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO5S
All Atoms:50
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.0725
Area:613.728
Solvation:-4.27071
Coulombic:-35.9983
Bond Count [?]
All:28
Single:18
Double:10
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:389.466
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.61
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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