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Chemical ID: 4080561
Chemical ID:
4080561
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4-tert-butyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Cl)NS(=O)(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C17H20ClNO2S/c1-12-5-8-14(11-16(12)18)19-22(20,21)15-9-6-13(7-10-15)17(2,3)4/h5-11,19H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,21,22,3,15,17,4,14,18,6,2,16,5,13,7,19,8,9,11,12,10/E:(2,3,4)(6,7)(9,10)(20,21)/CRV:22.6/rA:22nCCCCCCCClNSOOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20ClNO2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4037 |
Area: | 522.804 |
Solvation: | -1.66637 |
Coulombic: | -15.1397 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.865 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.38 |
LogP (Chemaxon): | 5.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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