Chemical ID: 4078629

CC(C(OC)OC)NS(=O)(=O)c1cccc(c1)Br
Chemical ID:
4078629
Name [?]:
3-bromo-N-(2,2-dimethoxy-1-methyl-ethyl)-benzenesulfonamide
SMILES [?]:
CC(C(OC)OC)NS(=O)(=O)c1cccc(c1)Br
InChi [?]:
InChI=1/C11H16BrNO4S/c1-8(11(16-2)17-3)13-18(14,15)10-6-4-5-9(12)7-10/h4-8,11,13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,7,14,15,13,17,2,16,12,3,18,8,10,11,4,6,9/E:(2,3)(14,15)(16,17)/CRV:18.6/rA:18cCCCOCOCNSOOCCCCCCBr/rB:s1;s2;s3;s4;s3;s6;s2;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16BrNO4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.37238
Area:459.447
Solvation:-4.1138
Coulombic:-29.2653
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.219
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.92
LogP (Chemaxon):2.14

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