N-[(3-bromophenyl)methyl]methanesulfonamide

C8H10BrNO2S — CID 6464358

IUPACN-[(3-bromophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C8H10BrNO2S/c1-13(11,12)10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKeyWWJKDFBCAXJDCX-UHFFFAOYSA-N
MW264.14 g/mol
LogP1.50
Rot. Bonds3

About N-[(3-bromophenyl)methyl]methanesulfonamide

N-[(3-bromophenyl)methyl]methanesulfonamide (PubChem CID 6464358) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]methanesulfonamide
PubChem CID6464358
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC NameN-[(3-bromophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(Br)c1
InChIInChI=1S/C8H10BrNO2S/c1-13(11,12)10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3
InChIKeyWWJKDFBCAXJDCX-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]methanesulfonamide (CID 6464358) is N-[(3-bromophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]methanesulfonamide?
The InChIKey is WWJKDFBCAXJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-13(11,12)10-6-7-3-2-4-8(9)5-7/h2-5,10H,6H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]methanesulfonamide?
N-[(3-bromophenyl)methyl]methanesulfonamide has a molecular weight of 264.14 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 6464358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).