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Chemical ID: 7515504
Chemical ID:
7515504
Name [?]:
N-(4-chlorophenyl)-N-[(4-ethylpiperazin-1-yl)carbonylmethyl]-4-methyl-benzenesulfonamide
SMILES [?]:
CCN1CCN(CC1)C(=O)CN(c2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C21H26ClN3O3S/c1-3-23-12-14-24(15-13-23)21(26)16-25(19-8-6-18(22)7-9-19)29(27,28)20-10-4-17(2)5-11-20/h4-11H,3,12-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,25,27,15,17,14,18,24,28,4,8,5,7,11,26,16,13,23,9,19,3,6,12,10,21,22,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(27,28)/CRV:29.6/rA:29cCCNCCNCCCOCNCCCCCCClSOOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s12;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H26ClN3O3S |
All Atoms: | 55 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.2221 |
Area: | 631.894 |
Solvation: | -3.57525 |
Coulombic: | -29.9989 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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