N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

C14H12ClN3O3S2 — CID 42349956

IUPACN-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(-c2cccs2)n1
InChIInChI=1S/C14H12ClN3O3S2/c1-18-8-13(14(16-18)12-3-2-6-22-12)23(20,21)17-10-7-9(15)4-5-11(10)19/h2-8,17,19H,1H3
InChIKeyFXUSDTNOQAYYPW-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.31
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42349956) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42349956
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(-c2cccs2)n1
InChIInChI=1S/C14H12ClN3O3S2/c1-18-8-13(14(16-18)12-3-2-6-22-12)23(20,21)17-10-7-9(15)4-5-11(10)19/h2-8,17,19H,1H3
InChIKeyFXUSDTNOQAYYPW-UHFFFAOYSA-N
XLogP3.31
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349963
N-(3-chloro-2-methylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349940
N-(2-ethylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285175
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-tert-butyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349702
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285227
N-(3-acetylphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285193
N-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285211
N-(1,3-benzodioxol-5-yl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285209
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349762
1-methyl-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349704
N-cyclododecyl-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349778

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42349956) is N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)c(-c2cccs2)n1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is FXUSDTNOQAYYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c1-18-8-13(14(16-18)12-3-2-6-22-12)23(20,21)17-10-7-9(15)4-5-11(10)19/h2-8,17,19H,1H3.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 369.86 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42349956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).