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Chemical ID: 6481856
Chemical ID:
6481856
Name [?]:
N-cyclopropyl-4-methoxy-N-(1-propyl-4-piperidyl)-benzenesulfonamide
SMILES [?]:
CCCN1CCC(CC1)N(C2CC2)S(=O)(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H28N2O3S/c1-3-12-19-13-10-16(11-14-19)20(15-4-5-15)24(21,22)18-8-6-17(23-2)7-9-18/h6-9,15-16H,3-5,10-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,12,13,19,21,18,22,6,8,3,5,9,11,7,20,17,4,10,15,16,23,14/E:(4,5)(6,7)(8,9)(10,11)(13,14)(21,22)/CRV:24.6/rA:24cCCCNCCCCCNCCCSOOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;s10;s11;s11s12;s10;d14;d14;s14;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N2O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.95601 |
Area: | 548.419 |
Solvation: | -3.75445 |
Coulombic: | -19.6339 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 352.493 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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