N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide

C17H25N3O2S — CID 22771286

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCCn1ncc(CNS(=O)(=O)c2ccc(CC(C)C)cc2)c1C
InChIInChI=1S/C17H25N3O2S/c1-5-20-14(4)16(11-18-20)12-19-23(21,22)17-8-6-15(7-9-17)10-13(2)3/h6-9,11,13,19H,5,10,12H2,1-4H3
InChIKeyHTZLFVFMSSRMRA-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.89
Rot. Bonds7

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 22771286) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID22771286
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCCn1ncc(CNS(=O)(=O)c2ccc(CC(C)C)cc2)c1C
InChIInChI=1S/C17H25N3O2S/c1-5-20-14(4)16(11-18-20)12-19-23(21,22)17-8-6-15(7-9-17)10-13(2)3/h6-9,11,13,19H,5,10,12H2,1-4H3
InChIKeyHTZLFVFMSSRMRA-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 34050741
4-(bromomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106041696
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
N-[(3,4-dichlorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 19680647
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22771313
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 23602115
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-[(2R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]propyl]cyclopropanesulfonamide
CID 125443004
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 20963939
4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 22209009

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide (CID 22771286) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide is CCn1ncc(CNS(=O)(=O)c2ccc(CC(C)C)cc2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HTZLFVFMSSRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-5-20-14(4)16(11-18-20)12-19-23(21,22)17-8-6-15(7-9-17)10-13(2)3/h6-9,11,13,19H,5,10,12H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 22771286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).