N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide

C21H22N4O4S — CID 148690065

IUPACN-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide
SMILESO=C(CO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C21H22N4O4S/c26-14-20(27)17-12-22-21(23-13-17)25-9-7-18(8-10-25)24-30(28,29)19-6-5-15-3-1-2-4-16(15)11-19/h1-6,11-13,18,24,26H,7-10,14H2
InChIKeyNTHJBCOWNUUWLW-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.75
Rot. Bonds6

About N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide

N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide (PubChem CID 148690065) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide
PubChem CID148690065
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC NameN-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide
SMILESO=C(CO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C21H22N4O4S/c26-14-20(27)17-12-22-21(23-13-17)25-9-7-18(8-10-25)24-30(28,29)19-6-5-15-3-1-2-4-16(15)11-19/h1-6,11-13,18,24,26H,7-10,14H2
InChIKeyNTHJBCOWNUUWLW-UHFFFAOYSA-N
XLogP1.75
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide (CID 148690065) is N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide is O=C(CO)c1cnc(N2CCC(NS(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide?
The InChIKey is NTHJBCOWNUUWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c26-14-20(27)17-12-22-21(23-13-17)25-9-7-18(8-10-25)24-30(28,29)19-6-5-15-3-1-2-4-16(15)11-19/h1-6,11-13,18,24,26H,7-10,14H2.
What are the key properties of N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide?
N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide has a molecular weight of 426.50 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-hydroxyacetyl)pyrimidin-2-yl]piperidin-4-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 148690065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).