Chemical ID: 7045762

CCCNS(=O)(=O)c1ccc(nc1)Cl
Chemical ID:
7045762
Name [?]:
6-chloro-N-propyl-pyridine-3-sulfonamide
SMILES [?]:
CCCNS(=O)(=O)c1ccc(nc1)Cl
InChi [?]:
InChI=1/C8H11ClN2O2S/c1-2-5-11-14(12,13)7-3-4-8(9)10-6-7/h3-4,6,11H,2,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,3,13,8,11,14,12,4,6,7,5/E:(12,13)/CRV:14.6/rA:14nCCCNSOOCCCCNCCl/rB:s1;s2;s3;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11ClN2O2S
All Atoms:25
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.06684
Area:403.731
Solvation:-2.02642
Coulombic:-17.7095
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.704
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.11
LogP (Chemaxon):1.31

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Descriptor Annotations

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