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Chemical ID: 5571107
Chemical ID:
5571107
Name [?]:
N,4-dimethyl-N-[3-(methyl-(p-tolylsulfonyl)amino)phenyl]-benzenesulfonamide
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)N(C)c2cccc(c2)N(C)S(=O)(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C22H24N2O4S2/c1-17-8-12-21(13-9-17)29(25,26)23(3)19-6-5-7-20(16-19)24(4)30(27,28)22-14-10-18(2)11-15-22/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,12,20,15,14,16,3,7,26,28,4,6,25,29,18,2,27,13,17,5,24,11,19,9,10,22,23,8,21/E:(1,2)(3,4)(6,7)(8,9,10,11)(12,13,14,15)(17,18)(19,20)(21,22)(23,24)(25,26,27,28)(29,30)/CRV:29.6,30.6/rA:30cCCCCCCCSOONCCCCCCCNCSOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s19;d21;d21;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O4S2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.654 |
Area: | 643.383 |
Solvation: | -3.4306 |
Coulombic: | -16.5354 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 444.569 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.41 |
LogP (Chemaxon): | 4.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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