4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride

C13H10ClFN2O3S — CID 104785746

IUPAC4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cncc(F)c1
InChIInChI=1S/C13H10ClFN2O3S/c1-8-4-11(21(14,19)20)2-3-12(8)17-13(18)9-5-10(15)7-16-6-9/h2-7H,1H3,(H,17,18)
InChIKeyOFCGUJULIYRKOZ-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.71
Rot. Bonds3

About 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride

4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride (PubChem CID 104785746) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
PubChem CID104785746
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC Name4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cncc(F)c1
InChIInChI=1S/C13H10ClFN2O3S/c1-8-4-11(21(14,19)20)2-3-12(8)17-13(18)9-5-10(15)7-16-6-9/h2-7H,1H3,(H,17,18)
InChIKeyOFCGUJULIYRKOZ-UHFFFAOYSA-N
XLogP2.71
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786047
5-fluoro-N-(4-hydroxy-2-methylphenyl)pyridine-3-carboxamide
CID 115694821
N-(2-bromo-4-sulfamoylphenyl)-5-fluoropyridine-3-carboxamide
CID 104786050
3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209
3-methyl-4-[(6-methylpyridine-2-carbonyl)amino]benzenesulfonyl chloride
CID 43095073
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 43098424
2-bromo-4-[(5-fluoropyridine-3-carbonyl)amino]benzenesulfonyl chloride
CID 104785745
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
3-chloro-4-(pyridine-4-carbonylamino)benzenesulfonyl chloride
CID 43110736
5-fluoro-N-(2-sulfamoylphenyl)pyridine-3-carboxamide
CID 104786397
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride (CID 104785746) is 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1NC(=O)c1cncc(F)c1.
What is the InChIKey of 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The InChIKey is OFCGUJULIYRKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c1-8-4-11(21(14,19)20)2-3-12(8)17-13(18)9-5-10(15)7-16-6-9/h2-7H,1H3,(H,17,18).
What are the key properties of 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride has a molecular weight of 328.75 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoropyridine-3-carbonyl)amino]-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 104785746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).