N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide

C15H14FN3O3S — CID 124620906

IUPACN-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide
SMILESCn1cc([C@H](NS(=O)(=O)c2ccco2)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H14FN3O3S/c1-19-10-12(9-17-19)15(11-4-6-13(16)7-5-11)18-23(20,21)14-3-2-8-22-14/h2-10,15,18H,1H3/t15-/m1/s1
InChIKeyWSCUYKCJPLSVFG-OAHLLOKOSA-N
MW335.36 g/mol
LogP2.22
Rot. Bonds5

About N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide

N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide (PubChem CID 124620906) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide
PubChem CID124620906
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC NameN-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide
SMILESCn1cc([C@H](NS(=O)(=O)c2ccco2)c2ccc(F)cc2)cn1
InChIInChI=1S/C15H14FN3O3S/c1-19-10-12(9-17-19)15(11-4-6-13(16)7-5-11)18-23(20,21)14-3-2-8-22-14/h2-10,15,18H,1H3/t15-/m1/s1
InChIKeyWSCUYKCJPLSVFG-OAHLLOKOSA-N
XLogP2.22
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99854332
(1R,2R,3S,4S)-3-[[(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 166323380
N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 124618010
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine
CID 82538513
(1R)-N-(2H-chromen-3-ylmethyl)-1-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)methanamine
CID 124619534
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 79713609
(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124728531
2-amino-N-[1-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289779
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 35276451
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 91770068
(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)methanamine
CID 124619528
[(4-fluoro-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228355

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide (CID 124620906) is N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide is Cn1cc([C@H](NS(=O)(=O)c2ccco2)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide?
The InChIKey is WSCUYKCJPLSVFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c1-19-10-12(9-17-19)15(11-4-6-13(16)7-5-11)18-23(20,21)14-3-2-8-22-14/h2-10,15,18H,1H3/t15-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide?
N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 124620906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).