N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide

C10H10ClN3O3S — CID 115643661

IUPACN-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C10H10ClN3O3S/c1-14-9(5-6-12-14)18(16,17)13-8-4-2-3-7(11)10(8)15/h2-6,13,15H,1H3
InChIKeyAMHVHMQQDNODJV-UHFFFAOYSA-N
MW287.73 g/mol
LogP1.58
Rot. Bonds3

About N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide

N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 115643661) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
PubChem CID115643661
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC NameN-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C10H10ClN3O3S/c1-14-9(5-6-12-14)18(16,17)13-8-4-2-3-7(11)10(8)15/h2-6,13,15H,1H3
InChIKeyAMHVHMQQDNODJV-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 115641165
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
CID 115663120
N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 104821297
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709797
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
N-(3-chloro-2-hydroxyphenyl)-2-methylpropane-2-sulfonamide
CID 81433625
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazole-3-sulfonamide
CID 104709410
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide (CID 115643661) is N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)Nc1cccc(Cl)c1O.
What is the InChIKey of N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is AMHVHMQQDNODJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c1-14-9(5-6-12-14)18(16,17)13-8-4-2-3-7(11)10(8)15/h2-6,13,15H,1H3.
What are the key properties of N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide?
N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-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 N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 115643661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).