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Chemical ID: 4147452
Chemical ID:
4147452
Name [?]:
N-benzylmethanesulfonamide
SMILES [?]:
CS(=O)(=O)NCc1ccccc1
InChi [?]:
InChI=1/C8H11NO2S/c1-12(10,11)9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,6,7,5,3,4,2/E:(3,4)(5,6)(10,11)/CRV:12.6/rA:12nCSOONCCCCCCC/rB:s1;d2;d2;s2;s5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11NO2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.04875 |
Area: | 349.794 |
Solvation: | -2.69611 |
Coulombic: | -10.5841 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.244 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.13 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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