N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide

C19H20N4O3S — CID 129000198

IUPACN-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
SMILESCn1nccc1N1CCCC(NS(=O)(=O)c2cccc3ccccc23)C1=O
InChIInChI=1S/C19H20N4O3S/c1-22-18(11-12-20-22)23-13-5-9-16(19(23)24)21-27(25,26)17-10-4-7-14-6-2-3-8-15(14)17/h2-4,6-8,10-12,16,21H,5,9,13H2,1H3
InChIKeyTXXMLCOFIRNUOI-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide

N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide (PubChem CID 129000198) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
PubChem CID129000198
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
SMILESCn1nccc1N1CCCC(NS(=O)(=O)c2cccc3ccccc23)C1=O
InChIInChI=1S/C19H20N4O3S/c1-22-18(11-12-20-22)23-13-5-9-16(19(23)24)21-27(25,26)17-10-4-7-14-6-2-3-8-15(14)17/h2-4,6-8,10-12,16,21H,5,9,13H2,1H3
InChIKeyTXXMLCOFIRNUOI-UHFFFAOYSA-N
XLogP2.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 16328619
N-(1-methylpyrazol-3-yl)-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 42886152
N-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxo-5-(pyridazin-3-ylamino)pentan-2-yl]naphthalene-2-sulfonamide
CID 44308649
1-(3,4-dimethylphenyl)sulfonyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 25487625
1-(4-fluorophenyl)sulfonyl-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide
CID 55779605
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 55779669
(2S)-N-(2-benzylpyrazol-3-yl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55941469
(2S)-N-(2-benzylpyrazol-3-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55941554
N-[2-(2-phenylethyl)pyrazol-3-yl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 60258898
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60508000
1-(2,6-difluorophenyl)-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999455
3-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-4-fluorobenzenesulfonamide
CID 128999462

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide (CID 129000198) is N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide is Cn1nccc1N1CCCC(NS(=O)(=O)c2cccc3ccccc23)C1=O.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide?
The InChIKey is TXXMLCOFIRNUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-22-18(11-12-20-22)23-13-5-9-16(19(23)24)21-27(25,26)17-10-4-7-14-6-2-3-8-15(14)17/h2-4,6-8,10-12,16,21H,5,9,13H2,1H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide?
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 129000198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).