Chemical ID: 3991689

Cc1ccc(cc1S(=O)(=O)N2CCOCC2)N
Chemical ID:
3991689
Name [?]:
4-methyl-3-morpholinosulfonyl-aniline
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)N2CCOCC2)N
InChi [?]:
InChI=1/C11H16N2O3S/c1-9-2-3-10(12)8-11(9)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,16,13,15,6,2,5,7,17,11,9,10,14,8/E:(4,5)(6,7)(14,15)/CRV:17.6/rA:17nCCCCCCCSOONCCOCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s13;s14;s11s15;s5;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.93778
Area:402.003
Solvation:-3.11229
Coulombic:-31.7421
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:256.322
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.12
LogP (Chemaxon):0.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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