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

C19H20N4O3S — CID 129326844

IUPACN-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
SMILESCn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C19H20N4O3S/c1-22-18(10-11-20-22)23-12-4-7-17(19(23)24)21-27(25,26)16-9-8-14-5-2-3-6-15(14)13-16/h2-3,5-6,8-11,13,17,21H,4,7,12H2,1H3/t17-/m0/s1
InChIKeyNVLUMKVZDRCZEP-KRWDZBQOSA-N
MW384.46 g/mol
LogP2.05
Rot. Bonds4

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

N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 129326844) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
PubChem CID129326844
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
SMILESCn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C19H20N4O3S/c1-22-18(10-11-20-22)23-12-4-7-17(19(23)24)21-27(25,26)16-9-8-14-5-2-3-6-15(14)13-16/h2-3,5-6,8-11,13,17,21H,4,7,12H2,1H3/t17-/m0/s1
InChIKeyNVLUMKVZDRCZEP-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide (CID 129326844) is N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide is Cn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C1=O.
What is the InChIKey of N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is NVLUMKVZDRCZEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-22-18(10-11-20-22)23-12-4-7-17(19(23)24)21-27(25,26)16-9-8-14-5-2-3-6-15(14)13-16/h2-3,5-6,8-11,13,17,21H,4,7,12H2,1H3/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide?
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-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-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 129326844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).