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Chemical ID: 6419439
Chemical ID:
6419439
Name [?]:
4-amino-N-(4-tert-butylphenyl)-benzenesulfonamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C16H20N2O2S/c1-16(2,3)12-4-8-14(9-5-12)18-21(19,20)15-10-6-13(17)7-11-15/h4-11,18H,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,10,17,19,7,9,16,20,5,18,8,15,2,21,11,13,14,12/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(19,20)/CRV:21.6/rA:21nCCCCCCCCCCNSOOCCCCCCN/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3242 |
Area: | 489.684 |
Solvation: | -1.91787 |
Coulombic: | -30.4841 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.408 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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