Chemical ID: 7252501

Cc1cccc(c1)S(=O)(=O)NCCNS(=O)(=O)c2cccc(c2)C
Chemical ID:
7252501
Name [?]:
3-methyl-N-[2-(m-tolylsulfonylamino)ethyl]benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)NCCNS(=O)(=O)c2cccc(c2)C
InChi [?]:
InChI=1/C16H20N2O4S2/c1-13-5-3-7-15(11-13)23(19,20)17-9-10-18-24(21,22)16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,4,20,3,21,5,19,12,13,7,23,2,22,6,18,11,14,9,10,16,17,8,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20,21,22)(23,24)/CRV:23.6,24.6/rA:24nCCCCCCCSOONCCNSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;s14;d15;d15;s15;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O4S2
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.0885
Area:579.258
Solvation:-3.39299
Coulombic:-25.3376
Bond Count [?]
All:25
Single:15
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.473
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.41
LogP (Chemaxon):2.61

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Descriptor Annotations

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