N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide

C13H16ClN3O2S — CID 19680759

IUPACN-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H16ClN3O2S/c1-2-17-10-13(9-15-17)20(18,19)16-8-7-11-3-5-12(14)6-4-11/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyXWYQNRTVCODFAF-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide

N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 19680759) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID19680759
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C13H16ClN3O2S/c1-2-17-10-13(9-15-17)20(18,19)16-8-7-11-3-5-12(14)6-4-11/h3-6,9-10,16H,2,7-8H2,1H3
InChIKeyXWYQNRTVCODFAF-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 6470938
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 122567250
N-[2-(4-chlorophenyl)ethyl]-1-methylimidazole-4-sulfonamide
CID 46345208
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 91911666
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide (CID 19680759) is N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is XWYQNRTVCODFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-2-17-10-13(9-15-17)20(18,19)16-8-7-11-3-5-12(14)6-4-11/h3-6,9-10,16H,2,7-8H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19680759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).