Chemical ID: 6510275

Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl
Chemical ID:
6510275
Name [?]:
N-(1-benzyl-3-chloro-2-oxo-propyl)-4-methyl-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl
InChi [?]:
InChI=1/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,3,7,4,6,13,22,2,14,5,12,20,23,11,21,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(21,22)/CRV:23.6/rA:23cCCCCCCCSOONCCCCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s12;d20;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18ClNO3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.90805
Area:505.716
Solvation:-4.73485
Coulombic:-20.1658
Bond Count [?]
All:24
Single:15
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.848
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.16
LogP (Chemaxon):4.3

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