1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid

C18H24N4O4S — CID 166380691

IUPAC1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1CCN1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O4S/c1-14-13-17(18(23)24)19-22(14)12-11-21-9-7-15(8-10-21)20-27(25,26)16-5-3-2-4-6-16/h2-6,13,15,20H,7-12H2,1H3,(H,23,24)
InChIKeyFNSBRZWLWICILK-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.33
Rot. Bonds7

About 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid

1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 166380691) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID166380691
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1CCN1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N4O4S/c1-14-13-17(18(23)24)19-22(14)12-11-21-9-7-15(8-10-21)20-27(25,26)16-5-3-2-4-6-16/h2-6,13,15,20H,7-12H2,1H3,(H,23,24)
InChIKeyFNSBRZWLWICILK-UHFFFAOYSA-N
XLogP1.33
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]benzenesulfonamide
CID 47017423
N-[1-(4-hydroxy-4-phenylbutyl)piperidin-4-yl]benzenesulfonamide
CID 21426522
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butylacetamide
CID 18137011
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
4-acetyl-N-(1-benzylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 42913092
ethyl 5-[[2-[4-(benzenesulfonamido)piperidin-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56540930
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351295

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid (CID 166380691) is 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1CCN1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is FNSBRZWLWICILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-14-13-17(18(23)24)19-22(14)12-11-21-9-7-15(8-10-21)20-27(25,26)16-5-3-2-4-6-16/h2-6,13,15,20H,7-12H2,1H3,(H,23,24).
What are the key properties of 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid?
1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 392.48 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(benzenesulfonamido)piperidin-1-yl]ethyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 166380691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).