N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide

C12H15FN4O2S — CID 79524389

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCc2cnn(C)c2N)c1
InChIInChI=1S/C12H15FN4O2S/c1-8-3-4-10(13)11(5-8)20(18,19)16-7-9-6-15-17(2)12(9)14/h3-6,16H,7,14H2,1-2H3
InChIKeyRBBVBKHJMKQMQQ-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.93
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide (PubChem CID 79524389) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
PubChem CID79524389
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)NCc2cnn(C)c2N)c1
InChIInChI=1S/C12H15FN4O2S/c1-8-3-4-10(13)11(5-8)20(18,19)16-7-9-6-15-17(2)12(9)14/h3-6,16H,7,14H2,1-2H3
InChIKeyRBBVBKHJMKQMQQ-UHFFFAOYSA-N
XLogP0.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide
CID 79529149
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529154
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106033916
N-[(5-amino-1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 79523433
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 79524048
methyl 3-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 79529174
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
2-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-5-methylbenzenesulfonamide
CID 39636523
4-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 79529175
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 79524212

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide (CID 79524389) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)NCc2cnn(C)c2N)c1.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide?
The InChIKey is RBBVBKHJMKQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-8-3-4-10(13)11(5-8)20(18,19)16-7-9-6-15-17(2)12(9)14/h3-6,16H,7,14H2,1-2H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 79524389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).