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Chemical ID: 4487861
Chemical ID:
4487861
Name [?]:
3-bromo-N-(3,4-difluorophenyl)-4-methoxy-benzenesulfonamide
SMILES [?]:
COc1ccc(cc1Br)S(=O)(=O)Nc2ccc(c(c2)F)F
InChi [?]:
InChI=1/C13H10BrF2NO3S/c1-20-13-5-3-9(7-10(13)14)21(18,19)17-8-2-4-11(15)12(16)6-8/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,5,16,4,19,7,14,6,8,17,18,3,9,21,20,13,11,12,2,10/E:(18,19)/CRV:21.6/rA:21nCOCCCCCCBrSOONCCCCCCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10BrF2NO3S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53655 |
Area: | 465.893 |
Solvation: | -5.11077 |
Coulombic: | -25.4679 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 378.19 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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