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Chemical ID: 4425241

CS(=O)(=O)N(CC(=O)Nc1cccc(c1)F)c2ccc(cc2)Oc3ccccc3

Chemical ID:

4425241

Name [?]:

N-(3-fluorophenyl)-2-[methylsulfonyl-(4-phenoxyphenyl)-amino]-acetamide

SMILES [?]:

CS(=O)(=O)N(CC(=O)Nc1cccc(c1)F)c2ccc(cc2)Oc3ccccc3

InChi [?]:

InChI=1/C21H19FN2O4S/c1-29(26,27)24(15-21(25)23-17-7-5-6-16(22)14-17)18-10-12-20(13-11-18)28-19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,12,13,11,25,29,18,22,19,21,15,6,14,10,17,24,20,7,16,9,5,8,3,4,23,2/E:(3,4)(8,9)(10,11)(12,13)(26,27)/CRV:29.6/rA:29cCSOONCCONCCCCCCFCCCCCCOCCCCCC/rB:s1;d2;d2;s2;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s5;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉FN₂O₄S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	1

ZAP Information [?]

Total:	8.38516
Area:	603.462
Solvation:	-6.70138
Coulombic:	-36.3295

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	414.451
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.2
LogP (Chemaxon):	3.45

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

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

Chemical Mix	Source	External ID	Descriptor	Value