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Chemical ID: 6138897

Chemical ID:

6138897

Name [?]:

4-[[4-(2-furyl)-2-thienyl]amino]benzenesulfonamide

SMILES [?]:

c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N

InChi [?]:

InChI=1/C14H12N2O3S2/c15-21(17,18)12-5-3-11(4-6-12)16-14-8-10(9-20-14)13-2-1-7-19-13/h1-9,16H,(H2,15,17,18)

InChi Info:

AuxInfo=1/1/N:1,2,13,17,14,16,5,7,10,6,12,15,3,8,21,11,19,20,4,9,18/E:(3,4)(5,6)(17,18)/CRV:21.6/rA:21nCCCOCCCCSCNCCCCCCSOON/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s8;s11;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂N₂O₃S₂
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.93771
Area:	498.935
Solvation:	-3.53566
Coulombic:	-34.5718

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	320.389
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	1.68
LogP (Chemaxon):	2.16

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value