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Chemical ID: 5850139
Chemical ID:
5850139
Name [?]:
N-ethyl-N-(o-tolyl)benzenesulfonamide
SMILES [?]:
CCN(c1ccccc1C)S(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C15H17NO2S/c1-3-16(15-12-8-7-9-13(15)2)19(17,18)14-10-5-4-6-11-14/h4-12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,17,16,18,7,6,8,15,19,5,9,14,4,3,12,13,11/E:(5,6)(10,11)(17,18)/CRV:19.6/rA:19cCCNCCCCCCCSOOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3;d11;d11;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.09019 |
Area: | 434.23 |
Solvation: | -1.76555 |
Coulombic: | -10.1442 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.367 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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