Chemical ID: 7470911

CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)CCC(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)C
Chemical ID:
7470911
Name [?]:
N,N'-bis[4-(isopropylsulfamoyl)phenyl]butanediamide
SMILES [?]:
CC(C)NS(=O)(=O)c1ccc(cc1)NC(=O)CCC(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)C
InChi [?]:
InChI=1/C22H30N4O6S2/c1-15(2)25-33(29,30)19-9-5-17(6-10-19)23-21(27)13-14-22(28)24-18-7-11-20(12-8-18)34(31,32)26-16(3)4/h5-12,15-16,25-26H,13-14H2,1-4H3,(H,23,27)(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,3,33,34,10,12,23,27,9,13,24,26,17,18,2,32,11,22,8,25,15,19,14,21,4,31,16,20,6,7,29,30,5,28/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30,31,32)(33,34)/gE:(1,2)/CRV:33.6,34.6/rA:34nCCCNSOOCCCCCCNCOCCCONCCCCCCSOONCCC/rB:s1;s2;s2;s4;d5;d5;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;d28;d28;s28;s31;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N4O6S2
All Atoms:64
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.7487
Area:757.933
Solvation:-5.19967
Coulombic:-62.4489
Bond Count [?]
All:35
Single:23
Double:12
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:510.629
H-Bond Donors:4
H-Bond Acceptors:10
XLogP:1.47
LogP (Chemaxon):1.97

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Descriptor Annotations

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