N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide

C17H12FN3O3S2 — CID 167476347

IUPACN-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H12FN3O3S2/c1-24-15-8-11(9-19)2-7-14(15)21-26(22,23)16-10-20-17(25-16)12-3-5-13(18)6-4-12/h2-8,10,21H,1H3
InChIKeyCWGXVHBCQOXDSE-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.63
Rot. Bonds5

About N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide

N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 167476347) has the molecular formula C17H12FN3O3S2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
PubChem CID167476347
Molecular FormulaC17H12FN3O3S2
Molecular Weight389.43 g/mol
Exact Mass389.03
IUPAC NameN-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
SMILESCOc1cc(C#N)ccc1NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H12FN3O3S2/c1-24-15-8-11(9-19)2-7-14(15)21-26(22,23)16-10-20-17(25-16)12-3-5-13(18)6-4-12/h2-8,10,21H,1H3
InChIKeyCWGXVHBCQOXDSE-UHFFFAOYSA-N
XLogP3.63
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]benzoic acid
CID 167476005
5-cyano-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 106266828
5-bromo-N-(4-cyano-2-methoxyphenyl)thiophene-2-sulfonamide
CID 104840155
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
3-methoxy-4-[[2-[4-(4-phenylcyclohexyl)phenyl]-1,3-thiazol-5-yl]sulfonylamino]benzoic acid
CID 167475722
2-chloro-N-(2-chloro-4-cyanophenyl)-1,3-thiazole-5-sulfonamide
CID 107807707
3-methoxy-4-[[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]-1,3-thiazol-5-yl]sulfonylamino]benzoic acid
CID 167475737
2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167475514
5-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfonylamino]-1-methylpyrazole-3-carboxylic acid
CID 167476265
N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 104849801
N-[5-(4-cyanophenyl)-2-methylphenyl]-4-methoxy-5-methylthiophene-2-sulfonamide
CID 67282710
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide (CID 167476347) is N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide is COc1cc(C#N)ccc1NS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is CWGXVHBCQOXDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3S2/c1-24-15-8-11(9-19)2-7-14(15)21-26(22,23)16-10-20-17(25-16)12-3-5-13(18)6-4-12/h2-8,10,21H,1H3.
What are the key properties of N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 389.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 167476347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).