N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide

C13H14FN3O2S — CID 47268028

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-2-10(6-11)9-17(12-4-5-12)20(18,19)13-7-15-16-8-13/h1-3,6-8,12H,4-5,9H2,(H,15,16)
InChIKeyXUQSBPRSLSCEDP-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.90
Rot. Bonds5

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 47268028) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID47268028
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C13H14FN3O2S/c14-11-3-1-2-10(6-11)9-17(12-4-5-12)20(18,19)13-7-15-16-8-13/h1-3,6-8,12H,4-5,9H2,(H,15,16)
InChIKeyXUQSBPRSLSCEDP-UHFFFAOYSA-N
XLogP1.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 87032983
N-[(2-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 60959464
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzenesulfonamide
CID 86854839
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 47268204
2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]pyridine
CID 95810773
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104
2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 95810775
2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 110250016
N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511974

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide (CID 47268028) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(c1cn[nH]c1)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XUQSBPRSLSCEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-11-3-1-2-10(6-11)9-17(12-4-5-12)20(18,19)13-7-15-16-8-13/h1-3,6-8,12H,4-5,9H2,(H,15,16).
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47268028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).