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Chemical ID: 5045024

Cc1ccc(cc1)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccccc3Cl

Chemical ID:

5045024

Name [?]:

N-[(2-chlorophenyl)methyleneamino]-2-(phenethyl-(p-tolylsulfonyl)amino)-acetamide

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=Cc3ccccc3Cl

InChi [?]:

InChI=1/C24H24ClN3O3S/c1-19-11-13-22(14-12-19)32(30,31)28(16-15-20-7-3-2-4-8-20)18-24(29)27-26-17-21-9-5-6-10-23(21)25/h2-14,17H,15-16,18H2,1H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,17,16,18,28,29,15,19,27,30,3,7,4,6,13,12,25,20,2,14,26,5,31,21,32,24,23,11,22,9,10,8/E:(3,4)(7,8)(11,12)(13,14)(30,31)/CRV:32.6/rA:32cCCCCCCCSOONCCCCCCCCCCONNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s11;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄ClN₃O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.0586
Area:	703.161
Solvation:	-4.52047
Coulombic:	-29.4843

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	469.984
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.78
LogP (Chemaxon):	5.41

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