4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C22H17FN4O3S2 — CID 31157378

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)sc1-c1ccccn1
InChIInChI=1S/C22H17FN4O3S2/c1-14-20(19-4-2-3-13-24-19)31-22(25-14)26-21(28)15-5-9-17(10-6-15)27-32(29,30)18-11-7-16(23)8-12-18/h2-13,27H,1H3,(H,25,26,28)
InChIKeySIMOIZRTFVJVFR-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.71
Rot. Bonds6

About 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 31157378) has the molecular formula C22H17FN4O3S2 and a molecular weight of 468.54 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID31157378
Molecular FormulaC22H17FN4O3S2
Molecular Weight468.54 g/mol
Exact Mass468.07
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)sc1-c1ccccn1
InChIInChI=1S/C22H17FN4O3S2/c1-14-20(19-4-2-3-13-24-19)31-22(25-14)26-21(28)15-5-9-17(10-6-15)27-32(29,30)18-11-7-16(23)8-12-18/h2-13,27H,1H3,(H,25,26,28)
InChIKeySIMOIZRTFVJVFR-UHFFFAOYSA-N
XLogP4.71
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(4-methylphenyl)sulfamoyl]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31156775
4-methoxy-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154800
4-(dimethylamino)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31155104
6-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 31519632
N-[5-[5-(benzenesulfonamido)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 86620407
2,6-difluoro-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31171489
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 31154524
3-(diethylsulfamoyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 31154870
4-[(4-fluorophenyl)sulfonylamino]-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 121044601
5-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 31153940
4-amino-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 31154743
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 31157378) is 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)sc1-c1ccccn1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SIMOIZRTFVJVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S2/c1-14-20(19-4-2-3-13-24-19)31-22(25-14)26-21(28)15-5-9-17(10-6-15)27-32(29,30)18-11-7-16(23)8-12-18/h2-13,27H,1H3,(H,25,26,28).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 468.54 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 31157378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).