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Chemical ID: 6579767

CCOc1ccc(cc1)NC(=O)c2cccc(c2)NS(=O)(=O)c3ccc(c(c3)F)F

Chemical ID:

6579767

Name [?]:

3-(3,4-difluorophenyl)sulfonylamino-N-(4-ethoxyphenyl)-benzamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)c2cccc(c2)NS(=O)(=O)c3ccc(c(c3)F)F

InChi [?]:

InChI=1/C21H18F2N2O4S/c1-2-29-17-8-6-15(7-9-17)24-21(26)14-4-3-5-16(12-14)25-30(27,28)18-10-11-19(22)20(23)13-18/h3-13,25H,2H2,1H3,(H,24,26)

InChi Info:

AuxInfo=1/1/N:1,2,15,14,16,6,8,5,9,24,25,18,28,13,7,17,4,23,26,27,11,30,29,10,19,12,21,22,3,20/E:(6,7)(8,9)(27,28)/CRV:30.6/rA:30nCCOCCCCCCNCOCCCCCCNSOOCCCCCCFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈F₂N₂O₄S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.45611
Area:	627.637
Solvation:	-6.23483
Coulombic:	-46.9604

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	432.441
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.35
LogP (Chemaxon):	4.03

Name Annotations

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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