N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide

C17H25N3O2S — CID 22208862

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1nn(C)cc1C(C)NS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H25N3O2S/c1-12(2)10-15-6-8-16(9-7-15)23(21,22)19-14(4)17-11-20(5)18-13(17)3/h6-9,11-12,14,19H,10H2,1-5H3
InChIKeyGVHALIXMOQJMOM-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 22208862) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide
PubChem CID22208862
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1nn(C)cc1C(C)NS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H25N3O2S/c1-12(2)10-15-6-8-16(9-7-15)23(21,22)19-14(4)17-11-20(5)18-13(17)3/h6-9,11-12,14,19H,10H2,1-5H3
InChIKeyGVHALIXMOQJMOM-UHFFFAOYSA-N
XLogP2.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-nitrobenzenesulfonamide
CID 22208876
N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-methylbenzenesulfonamide
CID 51391304
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
3-tert-butyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methoxybenzenesulfonamide
CID 46979398
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 126792912
4-tert-butyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 22208960
N-[(1R)-1-cyanoethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 97243583
4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683354
1,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazol-4-amine
CID 104955918
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22207320

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide (CID 22208862) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide is Cc1nn(C)cc1C(C)NS(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is GVHALIXMOQJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12(2)10-15-6-8-16(9-7-15)23(21,22)19-14(4)17-11-20(5)18-13(17)3/h6-9,11-12,14,19H,10H2,1-5H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 22208862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).