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Chemical ID: 4067494
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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