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Chemical ID: 6482027
Chemical ID:
6482027
Name [?]:
N-cyclopropyl-4-methoxy-N-(1-methyl-4-piperidyl)-benzenesulfonamide
SMILES [?]:
CN1CCC(CC1)N(C2CC2)S(=O)(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C16H24N2O3S/c1-17-11-9-14(10-12-17)18(13-3-4-13)22(19,20)16-7-5-15(21-2)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,10,11,17,19,16,20,4,6,3,7,9,5,18,15,2,8,13,14,21,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(19,20)/CRV:22.6/rA:22cCNCCCCCNCCCSOOCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s9s10;s8;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.65385 |
Area: | 497.065 |
Solvation: | -3.77279 |
Coulombic: | -19.0597 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.96 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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