Chemical ID: 7312094

CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccccc2C(C)C
Chemical ID:
7312094
Name [?]:
4-isopropyl-N-(2-isopropylphenyl)-benzenesulfonamide
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C18H23NO2S/c1-13(2)15-9-11-16(12-10-15)22(20,21)19-18-8-6-5-7-17(18)14(3)4/h5-14,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,17,16,18,15,5,9,6,8,2,20,4,7,19,14,13,11,12,10/E:(1,2)(3,4)(9,10)(11,12)(20,21)/CRV:22.6/rA:22nCCCCCCCCCSOONCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO2S
All Atoms:45
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.1209
Area:510.043
Solvation:-1.63019
Coulombic:-15.6565
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.447
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.31
LogP (Chemaxon):5.0

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Experimental Annotations

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Descriptor Annotations

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