Chemical ID: 6419439

CC(C)(C)c1ccc(cc1)NS(=O)(=O)c2ccc(cc2)N
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

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Descriptor Annotations

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