N-(4-bromonaphthalen-1-yl)methanesulfonamide

C11H10BrNO2S — CID 102599780

IUPACN-(4-bromonaphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H10BrNO2S/c1-16(14,15)13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3
InChIKeyPRCOALNAKZQFDR-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.97
Rot. Bonds2

About N-(4-bromonaphthalen-1-yl)methanesulfonamide

N-(4-bromonaphthalen-1-yl)methanesulfonamide (PubChem CID 102599780) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)methanesulfonamide
PubChem CID102599780
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC NameN-(4-bromonaphthalen-1-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H10BrNO2S/c1-16(14,15)13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3
InChIKeyPRCOALNAKZQFDR-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)methanesulfonamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)methanesulfonamide (CID 102599780) is N-(4-bromonaphthalen-1-yl)methanesulfonamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)methanesulfonamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)methanesulfonamide?
The InChIKey is PRCOALNAKZQFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-16(14,15)13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,13H,1H3.
What are the key properties of N-(4-bromonaphthalen-1-yl)methanesulfonamide?
N-(4-bromonaphthalen-1-yl)methanesulfonamide has a molecular weight of 300.18 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)methanesulfonamide is sourced from PubChem (CID 102599780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).