N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide

C19H26N2O2S — CID 44592123

IUPACN-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide
SMILESCCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H26N2O2S/c1-2-3-14-21(18-10-12-20-13-11-18)24(22,23)19-9-8-16-6-4-5-7-17(16)15-19/h4-9,15,18,20H,2-3,10-14H2,1H3
InChIKeyBGQYUSCFJWWBHR-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.38
Rot. Bonds6

About N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide

N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide (PubChem CID 44592123) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide
PubChem CID44592123
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide
SMILESCCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H26N2O2S/c1-2-3-14-21(18-10-12-20-13-11-18)24(22,23)19-9-8-16-6-4-5-7-17(16)15-19/h4-9,15,18,20H,2-3,10-14H2,1H3
InChIKeyBGQYUSCFJWWBHR-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide?
The IUPAC name of N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide (CID 44592123) is N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide?
The canonical SMILES for N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide is CCCCN(C1CCNCC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide?
The InChIKey is BGQYUSCFJWWBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-2-3-14-21(18-10-12-20-13-11-18)24(22,23)19-9-8-16-6-4-5-7-17(16)15-19/h4-9,15,18,20H,2-3,10-14H2,1H3.
What are the key properties of N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide?
N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-piperidin-4-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 44592123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).