Chemical ID: 4147452

CS(=O)(=O)NCc1ccccc1
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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