4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide

C13H16ClN3O2S — CID 19582197

IUPAC4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2S/c1-3-17-12(8-9-15-17)10-16(2)20(18,19)13-6-4-11(14)5-7-13/h4-9H,3,10H2,1-2H3
InChIKeyTWRQHVYZWYNSHO-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.38
Rot. Bonds5

About 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide (PubChem CID 19582197) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
PubChem CID19582197
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
SMILESCCn1nccc1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN3O2S/c1-3-17-12(8-9-15-17)10-16(2)20(18,19)13-6-4-11(14)5-7-13/h4-9H,3,10H2,1-2H3
InChIKeyTWRQHVYZWYNSHO-UHFFFAOYSA-N
XLogP2.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 35520852
4-butan-2-yl-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
CID 44822142
N-[4-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]phenyl]acetamide
CID 35520805
4-butan-2-yl-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylbenzenesulfonamide
CID 44822214
3-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 25248155
2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19454239
3,4-dimethoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 35521053
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-[(2S)-butan-2-yl]-N-methylbenzenesulfonamide
CID 29092810
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
(2-ethylpyrazol-3-yl)methanesulfonic acid
CID 175919562
4-chloro-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 1301101
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide (CID 19582197) is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide is CCn1nccc1CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is TWRQHVYZWYNSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-3-17-12(8-9-15-17)10-16(2)20(18,19)13-6-4-11(14)5-7-13/h4-9H,3,10H2,1-2H3.
What are the key properties of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide?
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 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]-N-methylbenzenesulfonamide is sourced from PubChem (CID 19582197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).