4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide

C14H18ClN3O2S — CID 22207915

IUPAC4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1nccc1CNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C14H18ClN3O2S/c1-4-18-12(5-6-16-18)9-17-21(19,20)14-8-10(2)13(15)7-11(14)3/h5-8,17H,4,9H2,1-3H3
InChIKeyNUJFQVGIFQHIPY-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.65
Rot. Bonds5

About 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 22207915) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID22207915
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1nccc1CNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C14H18ClN3O2S/c1-4-18-12(5-6-16-18)9-17-21(19,20)14-8-10(2)13(15)7-11(14)3/h5-8,17H,4,9H2,1-3H3
InChIKeyNUJFQVGIFQHIPY-UHFFFAOYSA-N
XLogP2.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207405
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205191
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22209047
N-[(2-ethylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 22207904
4-chloro-2,5-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 3747457
N-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-5-methylsulfonylaniline
CID 114555098
4-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207456
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
N-[4-chloro-3-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 114555179
N-[2-chloro-4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]methanesulfonamide
CID 115762749
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide (CID 22207915) is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide is CCn1nccc1CNS(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is NUJFQVGIFQHIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-4-18-12(5-6-16-18)9-17-21(19,20)14-8-10(2)13(15)7-11(14)3/h5-8,17H,4,9H2,1-3H3.
What are the key properties of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22207915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).