N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide

C13H12ClF2N3O2S — CID 154796033

IUPACN-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)cc1Cl)c1cnn(C2CCC2)c1
InChIInChI=1S/C13H12ClF2N3O2S/c14-10-4-11(15)12(16)5-13(10)18-22(20,21)9-6-17-19(7-9)8-2-1-3-8/h4-8,18H,1-3H2
InChIKeyYONRPIXZZFFBJE-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.34
Rot. Bonds4

About N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide

N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide (PubChem CID 154796033) has the molecular formula C13H12ClF2N3O2S and a molecular weight of 347.77 g/mol. Its IUPAC name is N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide
PubChem CID154796033
Molecular FormulaC13H12ClF2N3O2S
Molecular Weight347.77 g/mol
Exact Mass347.03
IUPAC NameN-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)cc1Cl)c1cnn(C2CCC2)c1
InChIInChI=1S/C13H12ClF2N3O2S/c14-10-4-11(15)12(16)5-13(10)18-22(20,21)9-6-17-19(7-9)8-2-1-3-8/h4-8,18H,1-3H2
InChIKeyYONRPIXZZFFBJE-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)pyrazole-4-sulfonamide
CID 146141100
1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 146141081
3-chloro-4-fluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428238
1-cyclobutyl-N-(2-phenyltriazol-4-yl)pyrazole-4-sulfonamide
CID 146141093
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161
(1S,2S,4S)-N-(1-cyclobutylpyrazol-4-yl)sulfonyl-5,5-difluorobicyclo[2.2.1]heptane-2-carboxamide
CID 167789989
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-(2-amino-4-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 62061544
1-(3-methylcyclohexyl)pyrazole-4-sulfonamide
CID 81340370
8-(3-chloro-4-fluorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 161172745
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816
N-(2-cyclopentylsulfanylphenyl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 127639508

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide (CID 154796033) is N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide is O=S(=O)(Nc1cc(F)c(F)cc1Cl)c1cnn(C2CCC2)c1.
What is the InChIKey of N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide?
The InChIKey is YONRPIXZZFFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O2S/c14-10-4-11(15)12(16)5-13(10)18-22(20,21)9-6-17-19(7-9)8-2-1-3-8/h4-8,18H,1-3H2.
What are the key properties of N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide?
N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide has a molecular weight of 347.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-difluorophenyl)-1-cyclobutylpyrazole-4-sulfonamide is sourced from PubChem (CID 154796033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).