Chemical ID: 4077691

CC(C)N(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)C
Chemical ID:
4077691
Name [?]:
4-acetyl-N-isopropyl-N-phenyl-benzenesulfonamide
SMILES [?]:
CC(C)N(c1ccccc1)S(=O)(=O)c2ccc(cc2)C(=O)C
InChi [?]:
InChI=1/C17H19NO3S/c1-13(2)18(16-7-5-4-6-8-16)22(20,21)17-11-9-15(10-12-17)14(3)19/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,22,8,7,9,6,10,16,18,15,19,2,20,17,5,14,4,21,12,13,11/E:(1,2)(5,6)(7,8)(9,10)(11,12)(20,21)/CRV:22.6/rA:22cCCCNCCCCCCSOOCCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s4;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.30183
Area:497.012
Solvation:-3.12348
Coulombic:-16.5606
Bond Count [?]
All:23
Single:14
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.404
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.0
LogP (Chemaxon):2.92

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