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Chemical ID: 5592899

CC(=O)Nc1ccc(cc1)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(c(c3)F)F

Chemical ID:

5592899

Name [?]:

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

SMILES [?]:

CC(=O)Nc1ccc(cc1)NC(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(c(c3)F)F

InChi [?]:

InChI=1/C21H17F2N3O4S/c1-13(27)24-15-6-8-16(9-7-15)25-21(28)14-2-4-17(5-3-14)26-31(29,30)18-10-11-19(22)20(23)12-18/h2-12,26H,1H3,(H,24,27)(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,15,19,16,18,6,10,7,9,25,26,29,2,14,5,8,17,24,27,28,12,31,30,4,11,20,3,13,22,23,21/E:(2,3)(4,5)(6,7)(8,9)(29,30)/CRV:31.6/rA:31nCCONCCCCCCNCOCCCCCCNSOOCCCCCCFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;d21;d21;s21;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇F₂N₃O₄S
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.54019
Area:	639.567
Solvation:	-6.44898
Coulombic:	-57.9907

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	445.44
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	2.84
LogP (Chemaxon):	3.27

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

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

Chemical Mix	Source	External ID	Descriptor	Value