N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide

C7H13N3O4S2 — CID 102693096

IUPACN-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H13N3O4S2/c1-6(5-15(2,11)12)10-16(13,14)7-3-4-8-9-7/h3-4,6,10H,5H2,1-2H3,(H,8,9)
InChIKeyJJGSNQJOIJUKOC-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.88
Rot. Bonds5

About N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide

N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693096) has the molecular formula C7H13N3O4S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693096
Molecular FormulaC7H13N3O4S2
Molecular Weight267.33 g/mol
Exact Mass267.03
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H13N3O4S2/c1-6(5-15(2,11)12)10-16(13,14)7-3-4-8-9-7/h3-4,6,10H,5H2,1-2H3,(H,8,9)
InChIKeyJJGSNQJOIJUKOC-UHFFFAOYSA-N
XLogP-0.88
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
N-(4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691738
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134
N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
CID 102692367
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
3-methyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690644
N-[(2R)-2-hydroxypropyl]-1H-pyrazole-5-sulfonamide
CID 102693499
3-hydroxy-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690640
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102693096) is N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide is CC(CS(C)(=O)=O)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JJGSNQJOIJUKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S2/c1-6(5-15(2,11)12)10-16(13,14)7-3-4-8-9-7/h3-4,6,10H,5H2,1-2H3,(H,8,9).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 267.33 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).