Chemical ID: 6201930

c1c(cc(c2c1CCN2C(=O)C3CC3)S(=O)(=O)NCCCN4CCCCC4)Br
Chemical ID:
6201930
Name [?]:
5-bromo-1-cyclopropylcarbonyl-N-[3-(1-piperidyl)propyl]indoline-7-sulfonamide
SMILES [?]:
c1c(cc(c2c1CCN2C(=O)C3CC3)S(=O)(=O)NCCCN4CCCCC4)Br
InChi [?]:
InChI=1/C20H28BrN3O3S/c21-17-13-16-7-12-24(20(25)15-5-6-15)19(16)18(14-17)28(26,27)22-8-4-11-23-9-2-1-3-10-23/h13-15,22H,1-12H2
InChi Info:
AuxInfo=1/0/N:25,24,26,20,13,14,7,19,23,27,21,8,1,3,12,6,2,4,5,10,28,18,22,9,11,16,17,15/E:(2,3)(5,6)(9,10)(26,27)/CRV:28.6/rA:28nCCCCCCCCNCOCCCSOONCCCNCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s9;d10;s10;s12;s12s13;s4;d15;d15;s15;s18;s19;s20;s21;s22;s23;s24;s25;s22s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28BrN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0989
Area:619.403
Solvation:-4.38617
Coulombic:-29.1674
Bond Count [?]
All:31
Single:25
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:470.425
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.19
LogP (Chemaxon):1.24

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Descriptor Annotations

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