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Chemical ID: 4388612
Chemical ID:
4388612
Name [?]:
3-(diethylsulfamoyl)-N-(3-pyridylmethyl)benzamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NCc2cccnc2
InChi [?]:
InChI=1/C17H21N3O3S/c1-3-20(4-2)24(22,23)16-9-5-8-15(11-16)17(21)19-13-14-7-6-10-18-12-14/h5-12H,3-4,13H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,21,20,12,10,22,14,24,18,19,13,9,15,23,17,3,16,7,8,6/E:(1,2)(3,4)(22,23)/CRV:24.6/rA:24nCCNCCSOOCCCCCCCONCCCCCNC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4438 |
Area: | 561.774 |
Solvation: | -3.60051 |
Coulombic: | -33.8573 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 347.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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