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Chemical ID: 6477250
Chemical ID:
6477250
Name [?]:
N-(2-bromophenyl)-4-tert-butyl-benzenesulfonamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2ccccc2Br
InChi [?]:
InChI=1/C16H18BrNO2S/c1-16(2,3)12-8-10-13(11-9-12)21(19,20)18-15-7-5-4-6-14(15)17/h4-11,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,17,19,16,6,10,7,9,5,8,20,15,2,21,14,12,13,11/E:(1,2,3)(8,9)(10,11)(19,20)/CRV:21.6/rA:21nCCCCCCCCCCSOONCCCCCCBr/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18BrNO2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7965 |
Area: | 493.822 |
Solvation: | -1.54902 |
Coulombic: | -15.362 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 368.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.33 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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