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Chemical ID: 5113733

Chemical ID:

5113733

Name [?]:

4-(2-aminoethyl)-N,N-diethyl-benzenesulfonamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1ccc(cc1)CCN

InChi [?]:

InChI=1/C12H20N2O2S/c1-3-14(4-2)17(15,16)12-7-5-11(6-8-12)9-10-13/h5-8H,3-4,9-10,13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,11,13,10,14,15,16,12,9,17,3,7,8,6/E:(1,2)(3,4)(5,6)(7,8)(15,16)/CRV:17.6/rA:17nCCNCCSOOCCCCCCCCN/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s12;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₂₀N₂O₂S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.99249
Area:	442.382
Solvation:	-2.06707
Coulombic:	-20.586

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	256.365
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	1.24
LogP (Chemaxon):	1.23

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value