Chemical ID: 7066133

CCN(c1ccccc1)S(=O)(=O)c2ccc(nc2)N(C)Cc3ccccc3
Chemical ID:
7066133
Name [?]:
6-(benzyl-methyl-amino)-N-ethyl-N-phenyl-pyridine-3-sulfonamide
SMILES [?]:
CCN(c1ccccc1)S(=O)(=O)c2ccc(nc2)N(C)Cc3ccccc3
InChi [?]:
InChI=1/C21H23N3O2S/c1-3-24(19-12-8-5-9-13-19)27(25,26)20-14-15-21(22-16-20)23(2)17-18-10-6-4-7-11-18/h4-16H,3,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,25,7,24,26,6,8,23,27,5,9,14,15,18,21,22,4,13,16,17,19,3,11,12,10/E:(6,7)(8,9)(10,11)(12,13)(25,26)/CRV:27.6/rA:27cCCNCCCCCCSOOCCCCNCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2S
All Atoms:50
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.5894
Area:581.588
Solvation:-2.95035
Coulombic:-21.6257
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.492
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.1
LogP (Chemaxon):4.62

Name Annotations

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Descriptor Annotations

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