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Chemical ID: 3995248
Chemical ID:
3995248
Name [?]:
6-chloro-N,N-diisopropyl-pyridine-3-sulfonamide
SMILES [?]:
CC(C)N(C(C)C)S(=O)(=O)c1ccc(nc1)Cl
InChi [?]:
InChI=1/C11H17ClN2O2S/c1-8(2)14(9(3)4)17(15,16)10-5-6-11(12)13-7-10/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,12,13,16,2,5,11,14,17,15,4,9,10,8/E:(1,2,3,4)(8,9)(15,16)/CRV:17.6/rA:17nCCCNCCCSOOCCCCNCCl/rB:s1;s2;s2;s4;s5;s5;s4;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17ClN2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.87962 |
Area: | 428.912 |
Solvation: | -1.84318 |
Coulombic: | -13.4532 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.784 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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