N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide

C13H17N3O3S — CID 102692367

IUPACN-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(OCC(C)NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H17N3O3S/c1-10-3-5-12(6-4-10)19-9-11(2)16-20(17,18)13-7-8-14-15-13/h3-8,11,16H,9H2,1-2H3,(H,14,15)
InChIKeyCDGOMJABIRRDFV-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.46
Rot. Bonds6

About N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide

N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide (PubChem CID 102692367) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
PubChem CID102692367
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
SMILESCc1ccc(OCC(C)NS(=O)(=O)c2ccn[nH]2)cc1
InChIInChI=1S/C13H17N3O3S/c1-10-3-5-12(6-4-10)19-9-11(2)16-20(17,18)13-7-8-14-15-13/h3-8,11,16H,9H2,1-2H3,(H,14,15)
InChIKeyCDGOMJABIRRDFV-UHFFFAOYSA-N
XLogP1.46
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
N-(4-chloropentan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694053
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394117
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693971
N-(1-hydroxy-4-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106352662
(1R)-1-cyano-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propane-1-sulfonamide
CID 97243809
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
CID 61168340
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693440
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide (CID 102692367) is N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide is Cc1ccc(OCC(C)NS(=O)(=O)c2ccn[nH]2)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide?
The InChIKey is CDGOMJABIRRDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10-3-5-12(6-4-10)19-9-11(2)16-20(17,18)13-7-8-14-15-13/h3-8,11,16H,9H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide?
N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).