Chemical ID: 6199280

c1c(cc(c2c1CCN2C(=O)C3CC3)S(=O)(=O)NC4CCCCC4)Br
Chemical ID:
6199280
Name [?]:
5-bromo-N-cyclohexyl-1-cyclopropylcarbonyl-indoline-7-sulfonamide
SMILES [?]:
c1c(cc(c2c1CCN2C(=O)C3CC3)S(=O)(=O)NC4CCCCC4)Br
InChi [?]:
InChI=1/C18H23BrN2O3S/c19-14-10-13-8-9-21(18(22)12-6-7-12)17(13)16(11-14)25(23,24)20-15-4-2-1-3-5-15/h10-12,15,20H,1-9H2
InChi Info:
AuxInfo=1/0/N:22,21,23,20,24,13,14,7,8,1,3,12,6,2,19,4,5,10,25,18,9,11,16,17,15/E:(2,3)(4,5)(6,7)(23,24)/CRV:25.6/rA:25nCCCCCCCCNCOCCCSOONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s9;d10;s10;s12;s12s13;s4;d15;d15;s15;s18;s19;s20;s21;s22;s19s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23BrN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.88067
Area:536.592
Solvation:-3.53414
Coulombic:-25.9007
Bond Count [?]
All:28
Single:22
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:427.357
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.95
LogP (Chemaxon):3.07

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