4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide

C10H10ClN3O3S — CID 106139079

IUPAC4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C10H10ClN3O3S/c1-14-10(9(11)6-12-14)18(16,17)13-7-3-2-4-8(15)5-7/h2-6,13,15H,1H3
InChIKeyPKRZJHLLVSBQCI-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.58
Rot. Bonds3

About 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106139079) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106139079
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1cccc(O)c1
InChIInChI=1S/C10H10ClN3O3S/c1-14-10(9(11)6-12-14)18(16,17)13-7-3-2-4-8(15)5-7/h2-6,13,15H,1H3
InChIKeyPKRZJHLLVSBQCI-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide (CID 106139079) is 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(O)c1.
What is the InChIKey of 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is PKRZJHLLVSBQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-14-10(9(11)6-12-14)18(16,17)13-7-3-2-4-8(15)5-7/h2-6,13,15H,1H3.
What are the key properties of 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 287.73 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106139079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).