(2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide

C17H25N3O2S — CID 97065183

IUPAC(2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide
SMILESCc1nn(C)c(C)c1CCNS(=O)(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C17H25N3O2S/c1-13(16-8-6-5-7-9-16)12-23(21,22)18-11-10-17-14(2)19-20(4)15(17)3/h5-9,13,18H,10-12H2,1-4H3/t13-/m1/s1
InChIKeyLPQJEMZPRSJNNI-CYBMUJFWSA-N
MW335.47 g/mol
LogP2.30
Rot. Bonds7

About (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide

(2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide (PubChem CID 97065183) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide
PubChem CID97065183
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide
SMILESCc1nn(C)c(C)c1CCNS(=O)(=O)C[C@@H](C)c1ccccc1
InChIInChI=1S/C17H25N3O2S/c1-13(16-8-6-5-7-9-16)12-23(21,22)18-11-10-17-14(2)19-20(4)15(17)3/h5-9,13,18H,10-12H2,1-4H3/t13-/m1/s1
InChIKeyLPQJEMZPRSJNNI-CYBMUJFWSA-N
XLogP2.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 97073521
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 63104702
N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51103832
(2S)-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-phenylpropane-1-sulfonamide
CID 96539862
2-(2-phenylpropylsulfonylamino)ethanesulfonyl chloride
CID 81358184
N-(3-hydroxybutyl)-2-phenylpropane-1-sulfonamide
CID 80686188
N-[2-(ethylamino)ethyl]-2-phenylpropane-1-sulfonamide
CID 80686787
3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 75423044
(1R)-1-(3-methylphenyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 97318747
1-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065175
1-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97065174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide (CID 97065183) is (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide is Cc1nn(C)c(C)c1CCNS(=O)(=O)C[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The InChIKey is LPQJEMZPRSJNNI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13(16-8-6-5-7-9-16)12-23(21,22)18-11-10-17-14(2)19-20(4)15(17)3/h5-9,13,18H,10-12H2,1-4H3/t13-/m1/s1.
What are the key properties of (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
(2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 97065183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).