N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide

C16H20N2O2S — CID 54207158

IUPACN-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCC1CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C16H20N2O2S/c19-21(20,18-12-13-8-10-17-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13,17-18H,8-12H2
InChIKeyPTHMCNGWNIINLJ-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.12
Rot. Bonds4

About N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide

N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 54207158) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide
PubChem CID54207158
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCC1CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C16H20N2O2S/c19-21(20,18-12-13-8-10-17-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13,17-18H,8-12H2
InChIKeyPTHMCNGWNIINLJ-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide (CID 54207158) is N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide is O=S(=O)(NCC1CCNCC1)c1cccc2ccccc12.
What is the InChIKey of N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is PTHMCNGWNIINLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-21(20,18-12-13-8-10-17-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13,17-18H,8-12H2.
What are the key properties of N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide?
N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 304.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 54207158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).