3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C11H12ClN3O3S — CID 112691520

IUPAC3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1Cl
InChIInChI=1S/C11H12ClN3O3S/c1-7-6-13-14-11(7)15-19(16,17)8-3-4-10(18-2)9(12)5-8/h3-6H,1-2H3,(H2,13,14,15)
InChIKeySHPWCVLXNMOXEO-UHFFFAOYSA-N
MW301.76 g/mol
LogP2.18
Rot. Bonds4

About 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 112691520) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID112691520
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1Cl
InChIInChI=1S/C11H12ClN3O3S/c1-7-6-13-14-11(7)15-19(16,17)8-3-4-10(18-2)9(12)5-8/h3-6H,1-2H3,(H2,13,14,15)
InChIKeySHPWCVLXNMOXEO-UHFFFAOYSA-N
XLogP2.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
N-(4-ethyl-1H-pyrazol-5-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 104620967
4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237166
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
4-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691515
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
methyl 4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 115631180
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 112691520) is 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2[nH]ncc2C)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is SHPWCVLXNMOXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-7-6-13-14-11(7)15-19(16,17)8-3-4-10(18-2)9(12)5-8/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 301.76 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 112691520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).