N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide

C9H10FN5O2S — CID 103298526

IUPACN-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide
SMILESNCc1cn[nH]c1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H10FN5O2S/c10-7-2-1-3-12-9(7)18(16,17)15-8-6(4-11)5-13-14-8/h1-3,5H,4,11H2,(H2,13,14,15)
InChIKeyBPMRKPMQOWHFAN-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.20
Rot. Bonds4

About N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide

N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide (PubChem CID 103298526) has the molecular formula C9H10FN5O2S and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide
PubChem CID103298526
Molecular FormulaC9H10FN5O2S
Molecular Weight271.28 g/mol
Exact Mass271.05
IUPAC NameN-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide
SMILESNCc1cn[nH]c1NS(=O)(=O)c1ncccc1F
InChIInChI=1S/C9H10FN5O2S/c10-7-2-1-3-12-9(7)18(16,17)15-8-6(4-11)5-13-14-8/h1-3,5H,4,11H2,(H2,13,14,15)
InChIKeyBPMRKPMQOWHFAN-UHFFFAOYSA-N
XLogP0.20
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)-5-fluoropyridine-3-sulfonamide
CID 56806205
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 75499444
4-fluoro-N-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)benzenesulfonamide
CID 18346858
5-(4-Fluorophenyl)-3-phenylsulfonylamino-4-(4-pyridyl)pyrazole
CID 18674042
4-fluoro-N-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzenesulfonamide
CID 20757672
N-[4-pyridin-2-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 23224467
N-[4-pyridin-4-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 23224498
3-fluoro-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 51101661
N-[4-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 67645959
5-fluoro-N'-(1H-pyrazol-5-yl)pyridine-3-carboximidamide
CID 135376510
N-(aminomethyl)-1-(difluoromethyl)-N-methyl-N'-pyridin-3-ylsulfonylpyrazole-4-carboximidamide
CID 141724548
5-fluoro-N'-(1H-pyrazol-5-yl)pyridine-3-carboximidamide
CID 146808539

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide (CID 103298526) is N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide is NCc1cn[nH]c1NS(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is BPMRKPMQOWHFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O2S/c10-7-2-1-3-12-9(7)18(16,17)15-8-6(4-11)5-13-14-8/h1-3,5H,4,11H2,(H2,13,14,15).
What are the key properties of N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide?
N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide has a molecular weight of 271.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1H-pyrazol-5-yl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).