Chemical ID: 4388612

CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NCc2cccnc2
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

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Descriptor Annotations

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