N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 47267972

IUPACN-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(OC(C)C)ccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C13H17N3O3S/c1-9(2)19-11-4-5-13(10(3)6-11)16-20(17,18)12-7-14-15-8-12/h4-9,16H,1-3H3,(H,14,15)
InChIKeyGBPJYQRWODNURY-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.31
Rot. Bonds5

About N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide

N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 47267972) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID47267972
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(OC(C)C)ccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C13H17N3O3S/c1-9(2)19-11-4-5-13(10(3)6-11)16-20(17,18)12-7-14-15-8-12/h4-9,16H,1-3H3,(H,14,15)
InChIKeyGBPJYQRWODNURY-UHFFFAOYSA-N
XLogP2.31
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 54937391
methyl 4-propan-2-yloxy-3-(1H-pyrazol-4-ylsulfonylamino)benzoate
CID 51098554
N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54937299
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-[5-bromo-2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 61273698
N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54867726
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 55945032
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide (CID 47267972) is N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide is Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is GBPJYQRWODNURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9(2)19-11-4-5-13(10(3)6-11)16-20(17,18)12-7-14-15-8-12/h4-9,16H,1-3H3,(H,14,15).
What are the key properties of N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide?
N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).