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Chemical ID: 7480435

Cc1cccc(c1NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)C3CCCCC3)C

Chemical ID:

7480435

Name [?]:

N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]cyclohexanecarboxamide

SMILES [?]:

Cc1cccc(c1NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)C3CCCCC3)C

InChi [?]:

InChI=1/C22H27N3O3S2/c1-15-7-6-8-16(2)20(15)25-30(27,28)19-13-11-18(12-14-19)23-22(29)24-21(26)17-9-4-3-5-10-17/h6-8,11-14,17,25H,3-5,9-10H2,1-2H3,(H2,23,24,26,29)

InChi Info:

AuxInfo=1/1/N:1,30,27,26,28,4,3,5,25,29,14,16,13,17,2,6,24,15,12,7,22,19,18,21,8,23,10,11,20,9/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(15,16)(27,28)/CRV:30.6/rA:30nCCCCCCCNSOOCCCCCCNCSNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s22;s24;s25;s26;s27;s24s28;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₇N₃O₃S₂
All Atoms:	57
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4088
Area:	622.644
Solvation:	-3.15734
Coulombic:	-45.4926

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	445.6
H-Bond Donors:	3
H-Bond Acceptors:	6
XLogP:	4.79
LogP (Chemaxon):	5.2

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