5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide

C14H16FN3O3S — CID 154761364

IUPAC5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1
InChIInChI=1S/C14H16FN3O3S/c1-9-3-4-10(15)7-13(9)22(20,21)17-11-8-12(19)14(11)18-6-2-5-16-18/h2-7,11-12,14,17,19H,8H2,1H3/t11-,12+,14+/m0/s1
InChIKeyPQKSZCBYEDELHR-OUCADQQQSA-N
MW325.37 g/mol
LogP0.98
Rot. Bonds4

About 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide

5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide (PubChem CID 154761364) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide
PubChem CID154761364
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1
InChIInChI=1S/C14H16FN3O3S/c1-9-3-4-10(15)7-13(9)22(20,21)17-11-8-12(19)14(11)18-6-2-5-16-18/h2-7,11-12,14,17,19H,8H2,1H3/t11-,12+,14+/m0/s1
InChIKeyPQKSZCBYEDELHR-OUCADQQQSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide with MolForge

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Related Compounds

2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64818376
N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide
CID 112823935
5-fluoro-2-methyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630411
5-fluoro-2-methyl-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 39630415
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978973
N-(3-amino-2,2-dimethylcyclobutyl)-5-fluoro-2-methylbenzenesulfonamide
CID 114632566
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
5-fluoro-2-methyl-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 6976095

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide (CID 154761364) is 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)N[C@H]1C[C@@H](O)[C@@H]1n1cccn1.
What is the InChIKey of 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide?
The InChIKey is PQKSZCBYEDELHR-OUCADQQQSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-9-3-4-10(15)7-13(9)22(20,21)17-11-8-12(19)14(11)18-6-2-5-16-18/h2-7,11-12,14,17,19H,8H2,1H3/t11-,12+,14+/m0/s1.
What are the key properties of 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide has a molecular weight of 325.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 154761364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).