Chemical ID: 5431435

Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NCCCO)OC
Chemical ID:
5431435
Name [?]:
N-(3-hydroxypropyl)-2-[(2-methoxy-5-methyl-phenyl)sulfonyl-methyl-amino]-acetamide
SMILES [?]:
Cc1ccc(c(c1)S(=O)(=O)N(C)CC(=O)NCCCO)OC
InChi [?]:
InChI=1/C14H22N2O5S/c1-11-5-6-12(21-3)13(9-11)22(19,20)16(2)10-14(18)15-7-4-8-17/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,12,22,18,3,4,17,19,7,13,2,5,6,14,16,11,20,15,9,10,21,8/E:(19,20)/CRV:22.6/rA:22cCCCCCCCSOONCCCONCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s11;s13;d14;s14;s16;s17;s18;s19;s5;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22N2O5S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.462
Area:517.63
Solvation:-5.47875
Coulombic:-51.2293
Bond Count [?]
All:22
Single:16
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:330.401
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.28
LogP (Chemaxon):-0.08

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