Chemical ID: 4346191

c1cc(cc(c1)S(=O)(=O)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]
Chemical ID:
4346191
Name [?]:
N-(2-adamantyl)-3-nitro-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NC2C3CC4CC(C3)CC2C4)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H20N2O4S/c19-18(20)14-2-1-3-15(9-14)23(21,22)17-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,9-13,16-17H,4-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,13,20,17,18,4,14,16,12,19,3,5,11,10,21,22,23,8,9,7/E:(5,6,7,8)(10,11)(12,13)(19,20)(21,22)/CRV:18.5,23.6/rA:23nCCCCCCSOONCCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s14;s15;s12s16;s16;s11s18;s14s19;s3;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.57438
Area:482.305
Solvation:-7.48325
Coulombic:-23.4306
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:336.407
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.4
LogP (Chemaxon):2.92

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