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

C9H8ClN3O3S — CID 54937402

IUPACN-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1cn[nH]c1
InChIInChI=1S/C9H8ClN3O3S/c10-6-1-2-9(14)8(3-6)13-17(15,16)7-4-11-12-5-7/h1-5,13-14H,(H,11,12)
InChIKeyIGUBOULCDIPUSA-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.57
Rot. Bonds3

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

N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54937402) has the molecular formula C9H8ClN3O3S and a molecular weight of 273.70 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54937402
Molecular FormulaC9H8ClN3O3S
Molecular Weight273.70 g/mol
Exact Mass273.00
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccc1O)c1cn[nH]c1
InChIInChI=1S/C9H8ClN3O3S/c10-6-1-2-9(14)8(3-6)13-17(15,16)7-4-11-12-5-7/h1-5,13-14H,(H,11,12)
InChIKeyIGUBOULCDIPUSA-UHFFFAOYSA-N
XLogP1.57
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 81280632
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 62913782
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
N-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60912014

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide (CID 54937402) is N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cc(Cl)ccc1O)c1cn[nH]c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is IGUBOULCDIPUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3S/c10-6-1-2-9(14)8(3-6)13-17(15,16)7-4-11-12-5-7/h1-5,13-14H,(H,11,12).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide?
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 273.70 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).