Chemical ID: 7280595

CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccccc3
Chemical ID:
7280595
Name [?]:
N,N-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-benzenesulfonamide
SMILES [?]:
CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)c3ccccc3
InChi [?]:
InChI=1/C18H23N3O4S2/c1-19(2)26(22,23)17-8-10-18(11-9-17)27(24,25)21-14-12-20(13-15-21)16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,25,24,26,23,27,8,12,9,11,18,20,17,21,22,7,10,2,19,16,5,6,14,15,4,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(22,23)(24,25)/CRV:26.6,27.6/rA:27nCNCSOOCCCCCCSOONCCNCCCCCCCC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;d13;s13;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O4S2
All Atoms:50
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9539
Area:596.746
Solvation:-3.96474
Coulombic:-21.0863
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.525
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.01
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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