4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide

C15H13FN4O3S — CID 113037737

IUPAC4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)nc2)no1
InChIInChI=1S/C15H13FN4O3S/c1-10-8-15(19-23-10)18-12-4-7-14(17-9-12)20-24(21,22)13-5-2-11(16)3-6-13/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyAEYCFZMDRHCTPC-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.06
Rot. Bonds5

About 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide

4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide (PubChem CID 113037737) has the molecular formula C15H13FN4O3S and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
PubChem CID113037737
Molecular FormulaC15H13FN4O3S
Molecular Weight348.36 g/mol
Exact Mass348.07
IUPAC Name4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)nc2)no1
InChIInChI=1S/C15H13FN4O3S/c1-10-8-15(19-23-10)18-12-4-7-14(17-9-12)20-24(21,22)13-5-2-11(16)3-6-13/h2-9H,1H3,(H,17,20)(H,18,19)
InChIKeyAEYCFZMDRHCTPC-UHFFFAOYSA-N
XLogP3.06
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 113037637
N-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]sulfamoyl]phenyl]acetamide
CID 113051812
N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
4-fluoro-N-[6-(4-fluoroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113047314
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448
CID 57350054
CID 57350054

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide (CID 113037737) is 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide is Cc1cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)nc2)no1.
What is the InChIKey of 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is AEYCFZMDRHCTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3S/c1-10-8-15(19-23-10)18-12-4-7-14(17-9-12)20-24(21,22)13-5-2-11(16)3-6-13/h2-9H,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide?
4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide has a molecular weight of 348.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113037737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).