ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 4278517

CCc1ccccc1NS(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C

Chemical ID:

4278517

Name [?]:

N-(2-ethylphenyl)-2,4,6-triisopropyl-benzenesulfonamide

SMILES [?]:

CCc1ccccc1NS(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C

InChi [?]:

InChI=1/C23H33NO2S/c1-8-18-11-9-10-12-22(18)24-27(25,26)23-20(16(4)5)13-19(15(2)3)14-21(23)17(6)7/h9-17,24H,8H2,1-7H3

InChi Info:

AuxInfo=1/0/N:1,23,24,20,21,26,27,2,5,6,4,7,17,15,22,19,25,3,16,18,14,8,13,9,11,12,10/E:(2,3)(4,5,6,7)(13,14)(16,17)(20,21)(25,26)/CRV:27.6/rA:27nCCCCCCCCNSOOCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s18;s19;s19;s16;s22;s22;s14;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₃NO₂S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2703
Area:	549.879
Solvation:	-1.47667
Coulombic:	-16.7694

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	387.58
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	7.2
LogP (Chemaxon):	7.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value