Chemical ID: 4236842

CCOCCCNS(=O)(=O)Cc1ccccc1
Chemical ID:
4236842
Name [?]:
N-(3-ethoxypropyl)-1-phenyl-methanesulfonamide
SMILES [?]:
CCOCCCNS(=O)(=O)Cc1ccccc1
InChi [?]:
InChI=1/C12H19NO3S/c1-2-16-10-6-9-13-17(14,15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,5,13,17,6,4,11,12,7,9,10,3,8/E:(4,5)(7,8)(14,15)/CRV:17.6/rA:17nCCOCCCNSOOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H19NO3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.42013
Area:471.487
Solvation:-4.36704
Coulombic:-18.8034
Bond Count [?]
All:17
Single:12
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.35
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.45
LogP (Chemaxon):1.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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