4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide

C11H12ClN3O2S — CID 22209166

IUPAC4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN3O2S/c1-2-15-8-7-11(13-15)14-18(16,17)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3,(H,13,14)
InChIKeyLFDWJWSXGXLKGV-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.36
Rot. Bonds4

About 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide

4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide (PubChem CID 22209166) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
PubChem CID22209166
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
SMILESCCn1ccc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H12ClN3O2S/c1-2-15-8-7-11(13-15)14-18(16,17)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3,(H,13,14)
InChIKeyLFDWJWSXGXLKGV-UHFFFAOYSA-N
XLogP2.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22206918
4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
CID 53017323
4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 19582261
N-(1-ethylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 22209192
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 17022917
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-propylbenzenesulfonamide
CID 22204619
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201717
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 22206959
4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203594
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
N-[1-(cyanomethyl)pyrazol-3-yl]-4-ethoxybenzenesulfonamide
CID 110281530
N-(1-ethylpyrazol-3-yl)-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 71688053

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide (CID 22209166) is 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide is CCn1ccc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is LFDWJWSXGXLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-2-15-8-7-11(13-15)14-18(16,17)10-5-3-9(12)4-6-10/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide?
4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 22209166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).