N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide

C15H11BrN2O2S — CID 1122744

IUPACN-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cn1)c1ccc2ccccc2c1
InChIInChI=1S/C15H11BrN2O2S/c16-13-6-8-15(17-10-13)18-21(19,20)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,17,18)
InChIKeyATDLJVOBHQDGNJ-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.80
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide

N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide (PubChem CID 1122744) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide
PubChem CID1122744
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC NameN-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cn1)c1ccc2ccccc2c1
InChIInChI=1S/C15H11BrN2O2S/c16-13-6-8-15(17-10-13)18-21(19,20)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,17,18)
InChIKeyATDLJVOBHQDGNJ-UHFFFAOYSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide (CID 1122744) is N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(Br)cn1)c1ccc2ccccc2c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide?
The InChIKey is ATDLJVOBHQDGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-13-6-8-15(17-10-13)18-21(19,20)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide?
N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide has a molecular weight of 363.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 1122744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).