N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide

C13H14FN3O2S — CID 102692045

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(c1ccn[nH]1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C13H14FN3O2S/c14-12-4-2-1-3-10(12)9-17(11-5-6-11)20(18,19)13-7-8-15-16-13/h1-4,7-8,11H,5-6,9H2,(H,15,16)
InChIKeyKTVAQOQAVDHDDM-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.90
Rot. Bonds5

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692045) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102692045
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(c1ccn[nH]1)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C13H14FN3O2S/c14-12-4-2-1-3-10(12)9-17(11-5-6-11)20(18,19)13-7-8-15-16-13/h1-4,7-8,11H,5-6,9H2,(H,15,16)
InChIKeyKTVAQOQAVDHDDM-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-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692189
N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
CID 166242215
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 55904602
N-cyclobutyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71920081
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 56582102
(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide
CID 97095665
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide
CID 27665668
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693564
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177024
1-N-benzyl-4-N-cyclopentyl-1-N-ethyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 3189960

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide (CID 102692045) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(c1ccn[nH]1)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is KTVAQOQAVDHDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c14-12-4-2-1-3-10(12)9-17(11-5-6-11)20(18,19)13-7-8-15-16-13/h1-4,7-8,11H,5-6,9H2,(H,15,16).
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-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-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).