N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide

C18H26N4O3S — CID 171911932

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(OC)c(-c2cn[nH]c2C)c1
InChIInChI=1S/C18H26N4O3S/c1-4-22-9-5-6-14(22)11-20-26(23,24)15-7-8-18(25-3)16(10-15)17-12-19-21-13(17)2/h7-8,10,12,14,20H,4-6,9,11H2,1-3H3,(H,19,21)
InChIKeyWVLIYUOZFDPOQM-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.16
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide (PubChem CID 171911932) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
PubChem CID171911932
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc(OC)c(-c2cn[nH]c2C)c1
InChIInChI=1S/C18H26N4O3S/c1-4-22-9-5-6-14(22)11-20-26(23,24)15-7-8-18(25-3)16(10-15)17-12-19-21-13(17)2/h7-8,10,12,14,20H,4-6,9,11H2,1-3H3,(H,19,21)
InChIKeyWVLIYUOZFDPOQM-UHFFFAOYSA-N
XLogP2.16
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-2-methoxybenzamide
CID 146024625
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-methylbenzenesulfonamide
CID 58858762
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 95571348
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-4-pyridin-3-ylbenzenesulfonamide
CID 171914644
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332097
3-[[(2R)-1-ethylpyrrolidin-2-yl]methylsulfamoyl]-4-methoxybenzamide
CID 1262968
3-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]-4-methoxybenzamide
CID 2966184
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 4889482
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 140772672
3-cyclopentylidene-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methyl-2-oxoindole-5-sulfonamide
CID 92501377

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide (CID 171911932) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide is CCN1CCCC1CNS(=O)(=O)c1ccc(OC)c(-c2cn[nH]c2C)c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide?
The InChIKey is WVLIYUOZFDPOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-22-9-5-6-14(22)11-20-26(23,24)15-7-8-18(25-3)16(10-15)17-12-19-21-13(17)2/h7-8,10,12,14,20H,4-6,9,11H2,1-3H3,(H,19,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 171911932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).