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Chemical ID: 4293976

Chemical ID:

4293976

Name [?]:

N-(4-bromo-2,6-dimethyl-phenyl)benzenesulfonamide

SMILES [?]:

Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)Br

InChi [?]:

InChI=1/C14H14BrNO2S/c1-10-8-12(15)9-11(2)14(10)16-19(17,18)13-6-4-3-5-7-13/h3-9,16H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,15,14,16,13,17,3,5,2,6,4,12,7,19,8,10,11,9/E:(1,2)(4,5)(6,7)(8,9)(10,11)(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄BrNO₂S
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	9.42731
Area:	439.093
Solvation:	-1.55001
Coulombic:	-14.1081

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	340.237
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.96
LogP (Chemaxon):	4.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value