5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide

C17H17FN4O3S — CID 90555780

IUPAC5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C)n1
InChIInChI=1S/C17H17FN4O3S/c1-22-15(14-5-3-4-8-19-14)10-13(21-22)11-20-26(23,24)17-9-12(18)6-7-16(17)25-2/h3-10,20H,11H2,1-2H3
InChIKeyFAFLQRHXDCPXDW-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.11
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 90555780) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID90555780
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C)n1
InChIInChI=1S/C17H17FN4O3S/c1-22-15(14-5-3-4-8-19-14)10-13(21-22)11-20-26(23,24)17-9-12(18)6-7-16(17)25-2/h3-10,20H,11H2,1-2H3
InChIKeyFAFLQRHXDCPXDW-UHFFFAOYSA-N
XLogP2.11
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555758
2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 90555730
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90555805
5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 90555814
2,5-difluoro-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methyl]benzenesulfonamide
CID 67819553
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 90556104
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 29273557
5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]prop-2-enamide
CID 71797641

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide (CID 90555780) is 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C)n1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is FAFLQRHXDCPXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-22-15(14-5-3-4-8-19-14)10-13(21-22)11-20-26(23,24)17-9-12(18)6-7-16(17)25-2/h3-10,20H,11H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90555780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).