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Chemical ID: 5189958

Chemical ID:

5189958

Name [?]:

4-fluoro-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-benzenesulfonamide

SMILES [?]:

COCCSc1nnc(s1)NS(=O)(=O)c2ccc(cc2)F

InChi [?]:

InChI=1/C11H12FN3O3S3/c1-18-6-7-19-11-14-13-10(20-11)15-21(16,17)9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,15)

InChi Info:

AuxInfo=1/1/N:1,17,19,16,20,3,4,18,15,9,6,21,8,7,11,13,14,2,5,10,12/E:(2,3)(4,5)(16,17)/CRV:21.6/rA:21nCOCCSCNNCSNSOOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s9;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₂FN₃O₃S₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.72768
Area:	527.116
Solvation:	-4.45021
Coulombic:	-29.0637

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	349.428
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.65
LogP (Chemaxon):	1.82

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