4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide

C10H10ClN3O3S — CID 43540598

IUPAC4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H10ClN3O3S/c1-17-9-4-7(11)2-3-10(9)18(15,16)14-8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13)
InChIKeySABRJSUNCVMKJK-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.87
Rot. Bonds4

About 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide

4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 43540598) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID43540598
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H10ClN3O3S/c1-17-9-4-7(11)2-3-10(9)18(15,16)14-8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13)
InChIKeySABRJSUNCVMKJK-UHFFFAOYSA-N
XLogP1.87
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732
4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 43547505
N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 115733519
3,5-dichloro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532761
4-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943283
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
5-chloro-2-methyl-3-(1H-pyrazol-4-ylsulfamoyl)benzoic acid
CID 82890326
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide (CID 43540598) is 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)Nc1cn[nH]c1.
What is the InChIKey of 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is SABRJSUNCVMKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-17-9-4-7(11)2-3-10(9)18(15,16)14-8-5-12-13-6-8/h2-6,14H,1H3,(H,12,13).
What are the key properties of 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide?
4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 287.73 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 43540598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).