N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide

C14H17N3O4S2 — CID 17015962

IUPACN-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccccc2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O4S2/c1-22(18,19)16-14-9-13(11-5-3-2-4-6-11)15-17(14)12-7-8-23(20,21)10-12/h2-6,9,12,16H,7-8,10H2,1H3
InChIKeyGDFNBYRNRLTMKD-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.28
Rot. Bonds4

About N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide

N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide (PubChem CID 17015962) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide
PubChem CID17015962
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(-c2ccccc2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O4S2/c1-22(18,19)16-14-9-13(11-5-3-2-4-6-11)15-17(14)12-7-8-23(20,21)10-12/h2-6,9,12,16H,7-8,10H2,1H3
InChIKeyGDFNBYRNRLTMKD-UHFFFAOYSA-N
XLogP1.28
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-3-phenyl-1H-pyrazol-5-ylsulfamic acid
CID 5327154
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2815271
4-methyl-N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2815267
5-phenyl-2-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-imine
CID 54593274
2-(1,1-Dioxothiolan-3-yl)-4-(4-fluorophenyl)pyrazol-3-amine
CID 3813795
N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 44059151
3-(5-amino-4-phenyl-1H-pyrazol-1-yl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
CID 3809150
1-(1,1-dioxidotetrahydro-3-thienyl)-3-(2-thienyl)-1H-pyrazol-5-amine
CID 43090486
1-(1,1-dioxidotetrahydro-3-thienyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 43336853
3-[5-Amino-3-(4-chlorophenyl)pyrazolyl]thiolane-1,1-dione
CID 43336877
N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(p-tolyl)-1H-pyrazol-5-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 44059136
N-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylphenyl)pyrazol-5-yl]-4-fluorobenzenesulfonamide
CID 42175140

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide?
The IUPAC name of N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide (CID 17015962) is N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc(-c2ccccc2)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide?
The InChIKey is GDFNBYRNRLTMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-22(18,19)16-14-9-13(11-5-3-2-4-6-11)15-17(14)12-7-8-23(20,21)10-12/h2-6,9,12,16H,7-8,10H2,1H3.
What are the key properties of N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide?
N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide has a molecular weight of 355.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothiolan-3-yl)-3-phenylpyrazol-5-yl]methanesulfonamide is sourced from PubChem (CID 17015962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).