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Chemical ID: 4228616
Chemical ID:
4228616
Name [?]:
2,5-dimethyl-N-(m-tolyl)benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)NS(=O)(=O)c2cc(ccc2C)C
InChi [?]:
InChI=1/C15H17NO2S/c1-11-5-4-6-14(9-11)16-19(17,18)15-10-12(2)7-8-13(15)3/h4-10,16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,4,3,5,15,16,7,13,2,14,17,6,12,8,10,11,9/E:(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17NO2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48712 |
Area: | 445.444 |
Solvation: | -1.64897 |
Coulombic: | -14.1975 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.367 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.82 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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