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Chemical ID: 4069130
Chemical ID:
4069130
Name [?]:
N-methyl-4-(p-tolylsulfonylamino)benzamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(=O)NC
InChi [?]:
InChI=1/C15H16N2O3S/c1-11-3-9-14(10-4-11)21(19,20)17-13-7-5-12(6-8-13)15(18)16-2/h3-10,17H,1-2H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,14,16,13,17,4,6,2,15,12,5,18,20,11,19,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(19,20)/CRV:21.6/rA:21nCCCCCCCSOONCCCCCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42766 |
Area: | 489.456 |
Solvation: | -2.80873 |
Coulombic: | -34.7627 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.365 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.56 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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