N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide

C10H11N3O3S — CID 84582409

IUPACN-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide
SMILESO=c1cc(CNS(=O)(=O)c2ccccc2)[nH][nH]1
InChIInChI=1S/C10H11N3O3S/c14-10-6-8(12-13-10)7-11-17(15,16)9-4-2-1-3-5-9/h1-6,11H,7H2,(H2,12,13,14)
InChIKeyWDUUWNKCTAMNQF-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.18
Rot. Bonds4

About N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide

N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 84582409) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID84582409
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide
SMILESO=c1cc(CNS(=O)(=O)c2ccccc2)[nH][nH]1
InChIInChI=1S/C10H11N3O3S/c14-10-6-8(12-13-10)7-11-17(15,16)9-4-2-1-3-5-9/h1-6,11H,7H2,(H2,12,13,14)
InChIKeyWDUUWNKCTAMNQF-UHFFFAOYSA-N
XLogP0.18
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide (CID 84582409) is N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide is O=c1cc(CNS(=O)(=O)c2ccccc2)[nH][nH]1.
What is the InChIKey of N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is WDUUWNKCTAMNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c14-10-6-8(12-13-10)7-11-17(15,16)9-4-2-1-3-5-9/h1-6,11H,7H2,(H2,12,13,14).
What are the key properties of N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide?
N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 253.28 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 84582409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).