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Chemical ID: 4182980
Chemical ID:
4182980
Name [?]:
N-methyl-2-(phenylsulfonyl-(p-tolyl)amino)-acetamide
SMILES [?]:
Cc1ccc(cc1)N(CC(=O)NC)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C16H18N2O3S/c1-13-8-10-14(11-9-13)18(12-16(19)17-2)22(20,21)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,13,20,19,21,18,22,3,7,4,6,9,2,5,17,10,12,8,11,15,16,14/E:(4,5)(6,7)(8,9)(10,11)(20,21)/CRV:22.6/rA:22cCCCCCCCNCCONCSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s8;d14;d14;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.81226 |
Area: | 503.866 |
Solvation: | -3.7844 |
Coulombic: | -29.1775 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.89 |
LogP (Chemaxon): | 2.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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