4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide

C11H12ClN3O3S — CID 106150671

IUPAC4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C11H12ClN3O3S/c1-15-11(10(12)7-13-15)19(17,18)14-6-8-2-4-9(16)5-3-8/h2-5,7,14,16H,6H2,1H3
InChIKeyHTRYXCOOCKBQEE-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.26
Rot. Bonds4

About 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide

4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide (PubChem CID 106150671) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide
PubChem CID106150671
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC Name4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCc1ccc(O)cc1
InChIInChI=1S/C11H12ClN3O3S/c1-15-11(10(12)7-13-15)19(17,18)14-6-8-2-4-9(16)5-3-8/h2-5,7,14,16H,6H2,1H3
InChIKeyHTRYXCOOCKBQEE-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106149351
4-chloro-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106314761
1-[(4-Methoxyphenyl)methyl]-4-methylpyrazole-5-sulfonamide
CID 139389091
N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54893440
N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 55030290
3-amino-N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 61139205
3-amino-1-ethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
CID 61139394
4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61889013
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 62061773
N-[(4-hydroxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 62061940
N-[(3-hydroxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062985
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide (CID 106150671) is 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc(O)cc1.
What is the InChIKey of 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is HTRYXCOOCKBQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-15-11(10(12)7-13-15)19(17,18)14-6-8-2-4-9(16)5-3-8/h2-5,7,14,16H,6H2,1H3.
What are the key properties of 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide?
4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 301.75 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-hydroxyphenyl)methyl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).