Chemical ID: 6202289

CC1CC(CN(C1)C(=O)CNS(=O)(=O)c2ccc(s2)Br)C
Chemical ID:
6202289
Name [?]:
5-bromo-N-[(3,5-dimethyl-1-piperidyl)carbonylmethyl]thiophene-2-sulfonamide
SMILES [?]:
CC1CC(CN(C1)C(=O)CNS(=O)(=O)c2ccc(s2)Br)C
InChi [?]:
InChI=1/C13H19BrN2O3S2/c1-9-5-10(2)8-16(7-9)12(17)6-15-21(18,19)13-4-3-11(14)20-13/h3-4,9-10,15H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,17,16,3,10,7,5,2,4,18,8,15,20,11,6,9,13,14,19,12/E:(1,2)(7,8)(9,10)(18,19)/CRV:21.6/rA:21cCCCCCNCCOCNSOOCCCCSBrC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;s11;d12;d12;s12;d15;s16;d17;s15s18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19BrN2O3S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:10.5796
Area:538.374
Solvation:-2.8797
Coulombic:-29.257
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.338
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.13
LogP (Chemaxon):1.93

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