Chemical ID: 5571107

Cc1ccc(cc1)S(=O)(=O)N(C)c2cccc(c2)N(C)S(=O)(=O)c3ccc(cc3)C
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

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Descriptor Annotations

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