N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide

C11H13N3O4S2 — CID 102692588

IUPACN-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C11H13N3O4S2/c1-2-19(15,16)10-5-3-9(4-6-10)14-20(17,18)11-7-8-12-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyQUIVAXNJIIFJKM-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.00
Rot. Bonds5

About N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide

N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692588) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692588
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC NameN-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C11H13N3O4S2/c1-2-19(15,16)10-5-3-9(4-6-10)14-20(17,18)11-7-8-12-13-11/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyQUIVAXNJIIFJKM-UHFFFAOYSA-N
XLogP1.00
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
N-[4-(2-methoxyethoxy)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692703
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958
N-(6-methylsulfonyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102692515
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585
4-(1H-pyrazol-5-ylsulfonylamino)benzenecarboximidamide
CID 102694175
2-methyl-4-(1H-pyrazol-5-ylsulfonylamino)benzenesulfonyl chloride
CID 102691035
4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691736

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide (CID 102692588) is N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide is CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is QUIVAXNJIIFJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-2-19(15,16)10-5-3-9(4-6-10)14-20(17,18)11-7-8-12-13-11/h3-8,14H,2H2,1H3,(H,12,13).
What are the key properties of N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide?
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 315.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).