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Chemical ID: 5853540

CN(CC(=O)NN=Cc1ccc(cc1)F)S(=O)(=O)c2ccc(cc2)OC

Chemical ID:

5853540

Name [?]:

N-[(4-fluorophenyl)methyleneamino]-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]-acetamide

SMILES [?]:

CN(CC(=O)NN=Cc1ccc(cc1)F)S(=O)(=O)c2ccc(cc2)OC

InChi [?]:

InChI=1/C17H18FN3O4S/c1-21(26(23,24)16-9-7-15(25-2)8-10-16)12-17(22)20-19-11-13-3-5-14(18)6-4-13/h3-11H,12H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,26,10,14,11,13,21,23,20,24,8,3,9,12,22,19,4,15,7,6,2,5,17,18,25,16/E:(3,4)(5,6)(7,8)(9,10)(23,24)/CRV:26.6/rA:26cCNCCONNCCCCCCCFSOOCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;s2;d16;d16;s16;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈FN₃O₄S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	6.71113
Area:	578.03
Solvation:	-7.73962
Coulombic:	-34.653

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	379.407
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.92
LogP (Chemaxon):	2.28

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