N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide

C19H16N4O2S — CID 47063258

IUPACN-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cn1cncn1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N4O2S/c24-26(25,18-10-9-15-5-1-2-6-16(15)11-18)22-19-8-4-3-7-17(19)12-23-14-20-13-21-23/h1-11,13-14,22H,12H2
InChIKeyPLPWSRPYLWZLFC-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide

N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 47063258) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide
PubChem CID47063258
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cn1cncn1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16N4O2S/c24-26(25,18-10-9-15-5-1-2-6-16(15)11-18)22-19-8-4-3-7-17(19)12-23-14-20-13-21-23/h1-11,13-14,22H,12H2
InChIKeyPLPWSRPYLWZLFC-UHFFFAOYSA-N
XLogP3.28
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide (CID 47063258) is N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccccc1Cn1cncn1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is PLPWSRPYLWZLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-26(25,18-10-9-15-5-1-2-6-16(15)11-18)22-19-8-4-3-7-17(19)12-23-14-20-13-21-23/h1-11,13-14,22H,12H2.
What are the key properties of N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide?
N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 47063258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).