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Chemical ID: 6513672
Chemical ID:
6513672
Name [?]:
4-chloro-N-methyl-benzenesulfonamide
SMILES [?]:
CNS(=O)(=O)c1ccc(cc1)Cl
InChi [?]:
InChI=1/C7H8ClNO2S/c1-9-12(10,11)7-4-2-6(8)3-5-7/h2-5,9H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,10,7,11,9,6,12,2,4,5,3/E:(2,3)(4,5)(10,11)/CRV:12.6/rA:12nCNSOOCCCCCCCl/rB:s1;s2;d3;d3;s3;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H8ClNO2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96064 |
Area: | 351.765 |
Solvation: | -1.83349 |
Coulombic: | -12.6483 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.663 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.49 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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