N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide

C19H16N4O3S — CID 1300548

IUPACN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide
SMILESCN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N4O3S/c1-23(13-18-21-19(22-26-18)16-7-4-10-20-12-16)27(24,25)17-9-8-14-5-2-3-6-15(14)11-17/h2-12H,13H2,1H3
InChIKeyPWPQFTJMCTWTJY-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide

N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide (PubChem CID 1300548) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide
PubChem CID1300548
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide
SMILESCN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N4O3S/c1-23(13-18-21-19(22-26-18)16-7-4-10-20-12-16)27(24,25)17-9-8-14-5-2-3-6-15(14)11-17/h2-12H,13H2,1H3
InChIKeyPWPQFTJMCTWTJY-UHFFFAOYSA-N
XLogP3.11
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide?
The IUPAC name of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide (CID 1300548) is N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide is CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide?
The InChIKey is PWPQFTJMCTWTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-23(13-18-21-19(22-26-18)16-7-4-10-20-12-16)27(24,25)17-9-8-14-5-2-3-6-15(14)11-17/h2-12H,13H2,1H3.
What are the key properties of N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide?
N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1300548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).