N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide

C11H12ClN3O4S — CID 60912014

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cn[nH]c2)c(OC)cc1Cl
InChIInChI=1S/C11H12ClN3O4S/c1-18-10-4-9(11(19-2)3-8(10)12)15-20(16,17)7-5-13-14-6-7/h3-6,15H,1-2H3,(H,13,14)
InChIKeyXXGRAYJKIJFQPJ-UHFFFAOYSA-N
MW317.75 g/mol
LogP1.88
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60912014) has the molecular formula C11H12ClN3O4S and a molecular weight of 317.75 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60912014
Molecular FormulaC11H12ClN3O4S
Molecular Weight317.75 g/mol
Exact Mass317.02
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cn[nH]c2)c(OC)cc1Cl
InChIInChI=1S/C11H12ClN3O4S/c1-18-10-4-9(11(19-2)3-8(10)12)15-20(16,17)7-5-13-14-6-7/h3-6,15H,1-2H3,(H,13,14)
InChIKeyXXGRAYJKIJFQPJ-UHFFFAOYSA-N
XLogP1.88
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-1H-pyrazole-4-sulfonamide
CID 61276279
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
N-(4-chloro-2,5-dimethoxyphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 16644666
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22774049
N-(2-chloro-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 61248781
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide
CID 47363917
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide (CID 60912014) is N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide is COc1cc(NS(=O)(=O)c2cn[nH]c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is XXGRAYJKIJFQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S/c1-18-10-4-9(11(19-2)3-8(10)12)15-20(16,17)7-5-13-14-6-7/h3-6,15H,1-2H3,(H,13,14).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 317.75 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).