N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 61248597

IUPACN-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn[nH]c1)c1ccc(OC)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-13(10-4-6-11(19-2)7-5-10)16-20(17,18)12-8-14-15-9-12/h4-9,13,16H,3H2,1-2H3,(H,14,15)
InChIKeySIEKBLANMAHJDE-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide

N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61248597) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
PubChem CID61248597
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cn[nH]c1)c1ccc(OC)cc1
InChIInChI=1S/C13H17N3O3S/c1-3-13(10-4-6-11(19-2)7-5-10)16-20(17,18)12-8-14-15-9-12/h4-9,13,16H,3H2,1-2H3,(H,14,15)
InChIKeySIEKBLANMAHJDE-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
4-[1-(4-methoxyphenyl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 146121429
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3,5-dimethylbenzenesulfonamide
CID 112823035
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
N-(3,3-dimethyl-1-phenylbutyl)-1H-pyrazole-4-sulfonamide
CID 61273867
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
methyl 5-[1-(4-methoxyphenyl)propylsulfamoyl]-2-methylbenzoate
CID 133161339
N-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide
CID 106898738
N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115899543
5-bromo-N-[1-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 60652296
1-(difluoromethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]-5-methylpyrazole-4-sulfonamide
CID 51593919
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide (CID 61248597) is N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cn[nH]c1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is SIEKBLANMAHJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-13(10-4-6-11(19-2)7-5-10)16-20(17,18)12-8-14-15-9-12/h4-9,13,16H,3H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide?
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61248597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).