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Chemical ID: 4167887

Chemical ID:

4167887

Name [?]:

2,6-dibromo-N,N-diethyl-4-methyl-benzenesulfonamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1c(cc(cc1Br)C)Br

InChi [?]:

InChI=1/C11H15Br2NO2S/c1-4-14(5-2)17(15,16)11-9(12)6-8(3)7-10(11)13/h6-7H,4-5H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,5,16,2,4,11,13,12,10,14,9,17,15,3,7,8,6/E:(1,2)(4,5)(6,7)(9,10)(12,13)(15,16)/CRV:17.6/rA:17nCCNCCSOOCCCCCCBrCBr/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s12;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₅Br₂NO₂S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.70035
Area:	418.47
Solvation:	-1.76139
Coulombic:	-7.7421

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	385.116
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.99
LogP (Chemaxon):	3.91

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value