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Chemical ID: 6202289
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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