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Chemical ID: 7052489
Chemical ID:
7052489
Name [?]:
6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILES [?]:
c1cc(ncc1S(=O)(=O)NCCO)Cl
InChi [?]:
InChI=1/C7H9ClN2O3S/c8-7-2-1-6(5-9-7)14(12,13)10-3-4-11/h1-2,5,10-11H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,5,6,3,14,4,10,13,8,9,7/E:(12,13)/CRV:14.6/rA:14nCCCNCCSOONCCOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s3;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H9ClN2O3S |
All Atoms: | 23 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65474 |
Area: | 397.402 |
Solvation: | -3.28029 |
Coulombic: | -33.4315 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 236.677 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -0.38 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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