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Chemical ID: 4066322
Chemical ID:
4066322
Name [?]:
N-[1-(methoxymethyl)propyl]-4-methyl-benzenesulfonamide
SMILES [?]:
CCC(COC)NS(=O)(=O)c1ccc(cc1)C
InChi [?]:
InChI=1/C12H19NO3S/c1-4-11(9-16-3)13-17(14,15)12-7-5-10(2)6-8-12/h5-8,11,13H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,6,2,13,15,12,16,4,14,3,11,7,9,10,5,8/E:(5,6)(7,8)(14,15)/CRV:17.6/rA:17cCCCCOCNSOOCCCCCCC/rB:s1;s2;s3;s4;s5;s3;s7;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.83149 |
Area: | 436.565 |
Solvation: | -3.08262 |
Coulombic: | -21.2311 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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