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Chemical ID: 6207771

Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccc(cc4)S(=O)(=O)N)C(=N2)C

Chemical ID:

6207771

Name [?]:

4-[5-[[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methyl]-2-furyl]benzenesulfonamide

SMILES [?]:

Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccc(cc4)S(=O)(=O)N)C(=N2)C

InChi [?]:

InChI=1/C22H19N3O4S/c1-14-3-7-17(8-4-14)25-22(26)20(15(2)24-25)13-18-9-12-21(29-18)16-5-10-19(11-6-16)30(23,27)28/h3-13H,1-2H3,(H2,23,27,28)

InChi Info:

AuxInfo=1/1/N:1,30,3,7,19,23,4,6,14,20,22,15,12,2,28,18,5,13,21,11,16,9,27,29,8,10,25,26,17,24/E:(3,4)(5,6)(7,8)(10,11)(27,28)/CRV:30.6/rA:30nCCCCCCCNCOCCCCCCOCCCCCCSOONCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;d24;d24;s24;s11;s8d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉N₃O₄S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.9518
Area:	624.725
Solvation:	-4.66638
Coulombic:	-38.6642

Bond Count [?]

All:	33
Single:	20
Double:	13
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	421.47
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.32
LogP (Chemaxon):	3.59

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

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Chemical Mix	Source	External ID	Descriptor	Value