Chemical ID: 6207770

CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccc(cc4)S(=O)(=O)N)C(=N2)C
Chemical ID:
6207770
Name [?]:
4-[5-[[1-(4-ethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]benzenesulfonamide
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(o3)c4ccc(cc4)S(=O)(=O)N)C(=N2)C
InChi [?]:
InChI=1/C23H21N3O4S/c1-3-16-4-8-18(9-5-16)26-23(27)21(15(2)25-26)14-19-10-13-22(30-19)17-6-11-20(12-7-17)31(24,28)29/h4-14H,3H2,1-2H3,(H2,24,28,29)
InChi Info:
AuxInfo=1/1/N:1,31,2,4,8,20,24,5,7,15,21,23,16,13,29,3,19,6,14,22,12,17,10,28,30,9,11,26,27,18,25/E:(4,5)(6,7)(8,9)(11,12)(28,29)/CRV:31.6/rA:31nCCCCCCCCNCOCCCCCCOCCCCCCSOONCNC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s22;d25;d25;s25;s12;s9d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21N3O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.608
Area:650.134
Solvation:-4.64536
Coulombic:-39.0398
Bond Count [?]
All:34
Single:21
Double:13
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:435.497
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.78
LogP (Chemaxon):3.99

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Descriptor Annotations

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