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Chemical ID: 5834996

Chemical ID:

5834996

Name [?]:

4-amino-N-(2,4,6-trimethylphenyl)-benzenesulfonamide

SMILES [?]:

Cc1cc(c(c(c1)C)NS(=O)(=O)c2ccc(cc2)N)C

InChi [?]:

InChI=1/C15H18N2O2S/c1-10-8-11(2)15(12(3)9-10)17-20(18,19)14-6-4-13(16)5-7-14/h4-9,17H,16H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,20,15,17,14,18,7,3,2,6,4,16,13,5,19,9,11,12,10/E:(2,3)(4,5)(6,7)(8,9)(11,12)(18,19)/CRV:20.6/rA:20nCCCCCCCCNSOOCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₈N₂O₂S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	9.42486
Area:	451.547
Solvation:	-1.86382
Coulombic:	-29.3804

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	290.382
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	2.29
LogP (Chemaxon):	3.23

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value