Chemical ID: 6432038

CN1CCCC1CCNS(=O)(=O)c2ccc(cc2)OC
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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Descriptor Annotations

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