4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide

C11H12ClN3O3S — CID 106314873

IUPAC4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccccc1CO
InChIInChI=1S/C11H12ClN3O3S/c1-15-11(9(12)6-13-15)19(17,18)14-10-5-3-2-4-8(10)7-16/h2-6,14,16H,7H2,1H3
InChIKeyPGOSBWCWWBHLOQ-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.37
Rot. Bonds4

About 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide

4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide (PubChem CID 106314873) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide
PubChem CID106314873
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC Name4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ccccc1CO
InChIInChI=1S/C11H12ClN3O3S/c1-15-11(9(12)6-13-15)19(17,18)14-10-5-3-2-4-8(10)7-16/h2-6,14,16H,7H2,1H3
InChIKeyPGOSBWCWWBHLOQ-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide (CID 106314873) is 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1ccccc1CO.
What is the InChIKey of 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is PGOSBWCWWBHLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-15-11(9(12)6-13-15)19(17,18)14-10-5-3-2-4-8(10)7-16/h2-6,14,16H,7H2,1H3.
What are the key properties of 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide?
4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 301.75 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106314873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).