Chemical ID: 3967757

Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)CCl
Chemical ID:
3967757
Name [?]:
N-[5-amino-1-(2-chloroacetyl)-pentyl]-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)CCl
InChi [?]:
InChI=1/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,3,7,4,6,16,20,2,5,12,18,21,17,11,19,9,10,8/E:(5,6)(7,8)(19,20)/CRV:21.6/rA:21cCCCCCCCSOONCCCCCNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;s16;s12;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21ClN2O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.5204
Area:535.138
Solvation:-4.85805
Coulombic:-30.9879
Bond Count [?]
All:21
Single:15
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:332.847
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.59
LogP (Chemaxon):1.7

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