N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H12ClN3O3S — CID 64787560

IUPACN-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C11H12ClN3O3S/c1-6-11(7(2)14-13-6)19(17,18)15-10-4-3-8(16)5-9(10)12/h3-5,15-16H,1-2H3,(H,13,14)
InChIKeyKFMVAACRCWHOQP-UHFFFAOYSA-N
MW301.75 g/mol
LogP2.19
Rot. Bonds3

About N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 64787560) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.75 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID64787560
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C11H12ClN3O3S/c1-6-11(7(2)14-13-6)19(17,18)15-10-4-3-8(16)5-9(10)12/h3-5,15-16H,1-2H3,(H,13,14)
InChIKeyKFMVAACRCWHOQP-UHFFFAOYSA-N
XLogP2.19
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-(3,4-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26952341
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62084614
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-(3-bromo-2-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 81497421
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777753
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 64787560) is N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is KFMVAACRCWHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-6-11(7(2)14-13-6)19(17,18)15-10-4-3-8(16)5-9(10)12/h3-5,15-16H,1-2H3,(H,13,14).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 301.75 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 64787560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).