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Chemical ID: 7325887

Cc1c(c(c(c(c1C)C)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N(C)C)C)C

Chemical ID:

7325887

Name [?]:

N-[3-(dimethylsulfamoyl)phenyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide

SMILES [?]:

Cc1c(c(c(c(c1C)C)S(=O)(=O)Nc2cccc(c2)S(=O)(=O)N(C)C)C)C

InChi [?]:

InChI=1/C19H26N2O4S2/c1-12-13(2)15(4)19(16(5)14(12)3)26(22,23)20-17-9-8-10-18(11-17)27(24,25)21(6)7/h8-11,20H,1-7H3

InChi Info:

AuxInfo=1/0/N:1,8,27,9,26,24,25,16,15,17,19,2,7,3,6,4,14,18,5,13,23,11,12,21,22,10,20/E:(2,3)(4,5)(6,7)(13,14)(15,16)(22,23)(24,25)/CRV:26.6,27.6/rA:27nCCCCCCCCCSOONCCCCCCSOONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;d10;s10;s13;s14;d15;s16;d17;d14s18;s18;d20;d20;s20;s23;s23;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₆N₂O₄S₂
All Atoms:	53
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.322
Area:	571.222
Solvation:	-2.95856
Coulombic:	-19.248

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	410.553
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.57
LogP (Chemaxon):	4.07

Name Annotations

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

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