N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide

C11H14N4O4S2 — CID 102691736

IUPACN-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C11H14N4O4S2/c1-15(2)21(18,19)10-5-3-4-9(8-10)14-20(16,17)11-6-7-12-13-11/h3-8,14H,1-2H3,(H,12,13)
InChIKeyKKXLWRNNAPLMJW-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.46
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide

N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691736) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691736
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccn[nH]2)c1
InChIInChI=1S/C11H14N4O4S2/c1-15(2)21(18,19)10-5-3-4-9(8-10)14-20(16,17)11-6-7-12-13-11/h3-8,14H,1-2H3,(H,12,13)
InChIKeyKKXLWRNNAPLMJW-UHFFFAOYSA-N
XLogP0.46
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(3-chlorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691568
2-methyl-N-[3-(1H-pyrazol-5-ylsulfonylamino)phenyl]propanamide
CID 102692658
3-N,3-N-dimethyl-1-N-phenylbenzene-1,3-disulfonamide
CID 25331317
N,N-dimethyl-3-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 63000001
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540
N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691960
N-(3,5-difluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691589
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692428
N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691965
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide (CID 102691736) is N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide is CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccn[nH]2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is KKXLWRNNAPLMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-15(2)21(18,19)10-5-3-4-9(8-10)14-20(16,17)11-6-7-12-13-11/h3-8,14H,1-2H3,(H,12,13).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide?
N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 330.39 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).