Chemical ID: 6167331

Cc1cccc(c1)N(CC(=O)N2CCN(CC2)C)S(=O)(=O)c3ccccc3
Chemical ID:
6167331
Name [?]:
N-[(4-methylpiperazin-1-yl)carbonylmethyl]-N-(m-tolyl)benzenesulfonamide
SMILES [?]:
Cc1cccc(c1)N(CC(=O)N2CCN(CC2)C)S(=O)(=O)c3ccccc3
InChi [?]:
InChI=1/C20H25N3O3S/c1-17-7-6-8-18(15-17)23(27(25,26)19-9-4-3-5-10-19)16-20(24)22-13-11-21(2)12-14-22/h3-10,15H,11-14,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,25,24,26,4,3,5,23,27,14,16,13,17,7,9,2,6,22,10,15,12,8,11,20,21,19/E:(4,5)(9,10)(11,12)(13,14)(25,26)/CRV:27.6/rA:27cCCCCCCCNCCONCCNCCCSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s8;d19;d19;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.1195
Area:580.114
Solvation:-4.38338
Coulombic:-29.0408
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:387.497
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.67
LogP (Chemaxon):2.29

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