N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide

C14H19N3O3S2 — CID 75425369

IUPACN-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide
SMILESCc1ccsc1-c1cc(NS(=O)(=O)CC2CCCCO2)n[nH]1
InChIInChI=1S/C14H19N3O3S2/c1-10-5-7-21-14(10)12-8-13(16-15-12)17-22(18,19)9-11-4-2-3-6-20-11/h5,7-8,11H,2-4,6,9H2,1H3,(H2,15,16,17)
InChIKeyGLYARABHCPVNCD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.76
Rot. Bonds5

About N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide

N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide (PubChem CID 75425369) has the molecular formula C14H19N3O3S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide
PubChem CID75425369
Molecular FormulaC14H19N3O3S2
Molecular Weight341.46 g/mol
Exact Mass341.09
IUPAC NameN-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide
SMILESCc1ccsc1-c1cc(NS(=O)(=O)CC2CCCCO2)n[nH]1
InChIInChI=1S/C14H19N3O3S2/c1-10-5-7-21-14(10)12-8-13(16-15-12)17-22(18,19)9-11-4-2-3-6-20-11/h5,7-8,11H,2-4,6,9H2,1H3,(H2,15,16,17)
InChIKeyGLYARABHCPVNCD-UHFFFAOYSA-N
XLogP2.76
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide
CID 154840984
N-(5-iodo-2-pyridinyl)-1-(oxolan-2-yl)methanesulfonamide
CID 65098715
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
CID 55174697
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-(oxolan-2-yl)methanesulfonamide
CID 102821586
N-[4-(2-hydroxyethylsulfonyl)-2-methylphenyl]-1-(oxan-2-yl)methanesulfonamide
CID 102563351
2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 102555706
N-(2-acetyl-4-hydroxyphenyl)-1-(oxan-2-yl)methanesulfonamide
CID 122142969
N-(3-chloro-4-methoxyphenyl)-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 95339490
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 83102546

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide?
The IUPAC name of N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide (CID 75425369) is N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide?
The canonical SMILES for N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide is Cc1ccsc1-c1cc(NS(=O)(=O)CC2CCCCO2)n[nH]1.
What is the InChIKey of N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide?
The InChIKey is GLYARABHCPVNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S2/c1-10-5-7-21-14(10)12-8-13(16-15-12)17-22(18,19)9-11-4-2-3-6-20-11/h5,7-8,11H,2-4,6,9H2,1H3,(H2,15,16,17).
What are the key properties of N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide?
N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide has a molecular weight of 341.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-(oxan-2-yl)methanesulfonamide is sourced from PubChem (CID 75425369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).