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Chemical ID: 7305062
Chemical ID:
7305062
Name [?]:
3-bromo-4-methoxy-N-methyl-N-phenyl-benzenesulfonamide
SMILES [?]:
CN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)Br)OC
InChi [?]:
InChI=1/C14H14BrNO3S/c1-16(11-6-4-3-5-7-11)20(17,18)12-8-9-14(19-2)13(15)10-12/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,6,5,7,4,8,13,14,17,3,12,16,15,18,2,10,11,19,9/E:(4,5)(6,7)(17,18)/CRV:20.6/rA:20cCNCCCCCCSOOCCCCCCBrOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14BrNO3S |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.29778 |
Area: | 471.11 |
Solvation: | -3.47997 |
Coulombic: | -15.1669 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.236 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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