Chemical ID: 5600592

CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCC23CC4CC(C2)CC(C4)C3
Chemical ID:
5600592
Name [?]:
1-adamantylmethyl 4-(dimethylsulfamoyl)benzoate
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C20H27NO4S/c1-21(2)26(23,24)18-5-3-17(4-6-18)19(22)25-13-20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,7-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,11,8,12,20,23,25,22,18,26,16,21,19,24,10,7,13,17,2,14,5,6,15,4/E:(1,2)(3,4)(5,6)(7,8,9)(10,11,12)(14,15,16)(23,24)/CRV:26.6/rA:26nCNCSOOCCCCCCCOOCCCCCCCCCCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;s20;s17s21;s21;s23;s19s24;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27NO4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5883
Area:567.42
Solvation:-2.59724
Coulombic:-28.5552
Bond Count [?]
All:29
Single:23
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.499
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.73
LogP (Chemaxon):3.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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