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Chemical ID: 4079581
Chemical ID:
4079581
Name [?]:
3-chloro-N,4-dimethyl-N-(3-pyridylmethyl)benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1Cl)S(=O)(=O)N(C)Cc2cccnc2
InChi [?]:
InChI=1/C14H15ClN2O2S/c1-11-5-6-13(8-14(11)15)20(18,19)17(2)10-12-4-3-7-16-9-12/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,17,16,3,4,18,6,20,14,2,15,5,7,8,19,12,10,11,9/E:(18,19)/CRV:20.6/rA:20cCCCCCCCClSOONCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15ClN2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.31874 |
Area: | 482.46 |
Solvation: | -2.74277 |
Coulombic: | -12.6553 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 310.8 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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