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Chemical ID: 6167331
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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