Chemical ID: 6168490

Cc1ccc(cc1)SCCNC(=O)CN(c2cccc(c2)Cl)S(=O)(=O)C
Chemical ID:
6168490
Name [?]:
2-[(3-chlorophenyl)-methylsulfonyl-amino]-N-[2-(p-tolylsulfanyl)ethyl]acetamide
SMILES [?]:
Cc1ccc(cc1)SCCNC(=O)CN(c2cccc(c2)Cl)S(=O)(=O)C
InChi [?]:
InChI=1/C18H21ClN2O3S2/c1-14-6-8-17(9-7-14)25-11-10-20-18(22)13-21(26(2,23)24)16-5-3-4-15(19)12-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,26,18,19,17,3,7,4,6,10,9,21,14,2,20,16,5,12,22,11,15,13,24,25,8,23/E:(6,7)(8,9)(23,24)/CRV:26.6/rA:26cCCCCCCCSCCNCOCNCCCCCCClSOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;s15;d23;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21ClN2O3S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.8134
Area:632.096
Solvation:-3.98899
Coulombic:-28.3929
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.956
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.54
LogP (Chemaxon):2.98

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Descriptor Annotations

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