Chemical ID: 4067494

c1ccc2c(c1)CCC2NS(=O)(=O)c3ccc(cc3)Br
Chemical ID:
4067494
Name [?]:
4-bromo-N-indan-1-yl-benzenesulfonamide
SMILES [?]:
c1ccc2c(c1)CCC2NS(=O)(=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C15H14BrNO2S/c16-12-6-8-13(9-7-12)20(18,19)17-15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9,15,17H,5,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,16,18,15,19,8,5,17,14,4,9,20,10,12,13,11/E:(6,7)(8,9)(18,19)/CRV:20.6/rA:20cCCCCCCCCCNSOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;d11;d11;s11;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14BrNO2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.26984
Area:445.582
Solvation:-1.86972
Coulombic:-14.5104
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:352.247
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.69
LogP (Chemaxon):3.94

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