Chemical ID: 6155634

CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])C
Chemical ID:
6155634
Name [?]:
N-[4-(diethylsulfamoyl)phenyl]-4-methyl-3-nitro-benzamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1ccc(cc1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])C
InChi [?]:
InChI=1/C18H21N3O5S/c1-4-20(5-2)27(25,26)16-10-8-15(9-11-16)19-18(22)14-7-6-13(3)17(12-14)21(23)24/h6-12H,4-5H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,5,27,2,4,20,19,11,13,10,14,23,21,18,12,9,22,16,15,3,24,17,25,26,7,8,6/E:(1,2)(4,5)(8,9)(10,11)(23,24)(25,26)/CRV:21.5,27.6/rA:27nCCNCCSOOCCCCCCNCOCCCCCCN+OO-C/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;d24;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.69269
Area:596.741
Solvation:-8.22583
Coulombic:-40.043
Bond Count [?]
All:28
Single:18
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:391.443
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.92
LogP (Chemaxon):3.33

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Descriptor Annotations

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