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Chemical ID: 7312094
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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