3-bromonaphthalene-1-sulfonamide

C10H8BrNO2S — CID 155937826

IUPAC3-bromonaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc2ccccc12
InChIInChI=1S/C10H8BrNO2S/c11-8-5-7-3-1-2-4-9(7)10(6-8)15(12,13)14/h1-6H,(H2,12,13,14)
InChIKeyNUAVINNNRWFAKT-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.25
Rot. Bonds1

About 3-bromonaphthalene-1-sulfonamide

3-bromonaphthalene-1-sulfonamide (PubChem CID 155937826) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is 3-bromonaphthalene-1-sulfonamide.

Molecular Properties

Compound Name3-bromonaphthalene-1-sulfonamide
PubChem CID155937826
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name3-bromonaphthalene-1-sulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc2ccccc12
InChIInChI=1S/C10H8BrNO2S/c11-8-5-7-3-1-2-4-9(7)10(6-8)15(12,13)14/h1-6H,(H2,12,13,14)
InChIKeyNUAVINNNRWFAKT-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromonaphthalene-1-sulfonamide?
The IUPAC name of 3-bromonaphthalene-1-sulfonamide (CID 155937826) is 3-bromonaphthalene-1-sulfonamide.
What is the SMILES notation for 3-bromonaphthalene-1-sulfonamide?
The canonical SMILES for 3-bromonaphthalene-1-sulfonamide is NS(=O)(=O)c1cc(Br)cc2ccccc12.
What is the InChIKey of 3-bromonaphthalene-1-sulfonamide?
The InChIKey is NUAVINNNRWFAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c11-8-5-7-3-1-2-4-9(7)10(6-8)15(12,13)14/h1-6H,(H2,12,13,14).
What are the key properties of 3-bromonaphthalene-1-sulfonamide?
3-bromonaphthalene-1-sulfonamide has a molecular weight of 286.15 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromonaphthalene-1-sulfonamide is sourced from PubChem (CID 155937826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).