4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide

C16H13BrN2O2S — CID 1125790

IUPAC4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2
InChIKeyGJSDYQXOSHKOGX-UHFFFAOYSA-N
MW377.26 g/mol
LogP3.48
Rot. Bonds4

About 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide

4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide (PubChem CID 1125790) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
PubChem CID1125790
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC Name4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2
InChIKeyGJSDYQXOSHKOGX-UHFFFAOYSA-N
XLogP3.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide (CID 1125790) is 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide is O=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide?
The InChIKey is GJSDYQXOSHKOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2.
What are the key properties of 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide?
4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide has a molecular weight of 377.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 1125790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).