Chemical ID: 4258989

c1cc(ccc1CCN)S(=O)(=O)N
Chemical ID:
4258989
Name [?]:
4-(2-aminoethyl)benzenesulfonamide
SMILES [?]:
c1cc(ccc1CCN)S(=O)(=O)N
InChi [?]:
InChI=1/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,8,6,3,9,13,11,12,10/E:(1,2)(3,4)(11,12)/CRV:13.6/rA:13nCCCCCCCCNSOON/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s3;d10;d10;s10;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.96833
Area:368.703
Solvation:-2.24924
Coulombic:-28.7917
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:200.259
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.24
LogP (Chemaxon):-0.55

Name Annotations

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Descriptor Annotations

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