N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide

C7H13N3O4S2 — CID 47292229

IUPACN-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O4S2/c1-15(11,12)4-2-3-10-16(13,14)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyZENYMPYFVBZFLC-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.88
Rot. Bonds6

About N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide

N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47292229) has the molecular formula C7H13N3O4S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
PubChem CID47292229
Molecular FormulaC7H13N3O4S2
Molecular Weight267.33 g/mol
Exact Mass267.03
IUPAC NameN-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C7H13N3O4S2/c1-15(11,12)4-2-3-10-16(13,14)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9)
InChIKeyZENYMPYFVBZFLC-UHFFFAOYSA-N
XLogP-0.88
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 60916750
N-(4-chloropentyl)-1H-pyrazole-4-sulfonamide
CID 106135484
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 113226739
N-[4-(2-methoxyethoxy)butyl]-1H-pyrazole-4-sulfonamide
CID 115599999
N-[(E)-pent-3-enyl]-1H-pyrazole-4-sulfonamide
CID 115628631
N-[2-(2-methoxyethoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 47959278
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-carboxamide
CID 61037227
N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 49460068
N-(2,3-dimethylbutyl)-1H-pyrazole-4-sulfonamide
CID 64596630
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide (CID 47292229) is N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide is CS(=O)(=O)CCCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ZENYMPYFVBZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S2/c1-15(11,12)4-2-3-10-16(13,14)7-5-8-9-6-7/h5-6,10H,2-4H2,1H3,(H,8,9).
What are the key properties of N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide?
N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 267.33 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47292229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).