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Chemical ID: 5877244

Cc1ccc(cc1)C(=O)NCCN(c2ccc(cc2)F)S(=O)(=O)c3ccc(cc3)Cl

Chemical ID:

5877244

Name [?]:

N-[2-[(4-chlorophenyl)sulfonyl-(4-fluorophenyl)-amino]ethyl]-4-methyl-benzamide

SMILES [?]:

Cc1ccc(cc1)C(=O)NCCN(c2ccc(cc2)F)S(=O)(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H20ClFN2O3S/c1-16-2-4-17(5-3-16)22(27)25-14-15-26(20-10-8-19(24)9-11-20)30(28,29)21-12-6-18(23)7-13-21/h2-13H,14-15H2,1H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,26,28,16,18,15,19,25,29,11,12,2,5,27,17,14,24,8,30,20,10,13,9,22,23,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(28,29)/CRV:30.6/rA:30cCCCCCCCCONCCNCCCCCCFSOOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s17;s13;d21;d21;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀ClFN₂O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.0977
Area:	650.681
Solvation:	-4.16936
Coulombic:	-35.307

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	446.923
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.71
LogP (Chemaxon):	4.75

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