N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H19N3O5S2 — CID 60958748

IUPACN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N3O5S2/c1-8-11(9(2)13-12-8)21(18,19)14(4-5-15)10-3-6-20(16,17)7-10/h10,15H,3-7H2,1-2H3,(H,12,13)
InChIKeyDJGZJMJBMHIVID-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.80
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60958748) has the molecular formula C11H19N3O5S2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60958748
Molecular FormulaC11H19N3O5S2
Molecular Weight337.42 g/mol
Exact Mass337.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(CCO)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H19N3O5S2/c1-8-11(9(2)13-12-8)21(18,19)14(4-5-15)10-3-6-20(16,17)7-10/h10,15H,3-7H2,1-2H3,(H,12,13)
InChIKeyDJGZJMJBMHIVID-UHFFFAOYSA-N
XLogP-0.80
TPSA120.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
N-(2-chloroethyl)-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 63396431
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43237040
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 42912908
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106599631
2-[tert-butyl-(1,1-dioxothiolan-3-yl)amino]ethanol
CID 59691476
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61231261
N-(1,1-dioxothiolan-3-yl)-2,3,4,5,6-pentamethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 55383917
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260447
N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260448
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
CID 7260297
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 60958748) is N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(CCO)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DJGZJMJBMHIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S2/c1-8-11(9(2)13-12-8)21(18,19)14(4-5-15)10-3-6-20(16,17)7-10/h10,15H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 337.42 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60958748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).