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Chemical ID: 6432038
Chemical ID:
6432038
Name [?]:
4-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
SMILES [?]:
CN1CCCC1CCNS(=O)(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C14H22N2O3S/c1-16-11-3-4-12(16)9-10-15-20(17,18)14-7-5-13(19-2)6-8-14/h5-8,12,15H,3-4,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,5,15,17,14,18,7,8,3,6,16,13,9,2,11,12,19,10/E:(5,6)(7,8)(17,18)/CRV:20.6/rA:20cCNCCCCCCNSOOCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s6;s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O3S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.67504 |
Area: | 495.154 |
Solvation: | -3.70381 |
Coulombic: | -23.7711 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.54 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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