4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide

C13H16ClN3O2S — CID 19582261

IUPAC4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCCn1ccc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN3O2S/c1-3-17-9-8-13(15-17)10(2)16-20(18,19)12-6-4-11(14)5-7-12/h4-10,16H,3H2,1-2H3
InChIKeyJYGZFTZWTZCWME-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.60
Rot. Bonds5

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

4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 19582261) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide
PubChem CID19582261
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCCn1ccc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN3O2S/c1-3-17-9-8-13(15-17)10(2)16-20(18,19)12-6-4-11(14)5-7-12/h4-10,16H,3H2,1-2H3
InChIKeyJYGZFTZWTZCWME-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 22209166
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
4-chloro-N-[1-(4-ethyl-5-methylsulfinyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 76596899
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide
CID 72535691
4-chloro-N-[(1R)-1-(1-ethyl-4-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177269
4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 91059115
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 51391304
N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-chlorobenzenesulfonamide
CID 3626557

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide (CID 19582261) is 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide is CCn1ccc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is JYGZFTZWTZCWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-3-17-9-8-13(15-17)10(2)16-20(18,19)12-6-4-11(14)5-7-12/h4-10,16H,3H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 19582261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).