3-bromo-N-methylsulfonylbenzamide

C8H8BrNO3S — CID 47269279

IUPAC3-bromo-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C8H8BrNO3S/c1-14(12,13)10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11)
InChIKeyXEERAOUNDOCRIO-UHFFFAOYSA-N
MW278.13 g/mol
LogP1.14
Rot. Bonds2

About 3-bromo-N-methylsulfonylbenzamide

3-bromo-N-methylsulfonylbenzamide (PubChem CID 47269279) has the molecular formula C8H8BrNO3S and a molecular weight of 278.13 g/mol. Its IUPAC name is 3-bromo-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name3-bromo-N-methylsulfonylbenzamide
PubChem CID47269279
Molecular FormulaC8H8BrNO3S
Molecular Weight278.13 g/mol
Exact Mass276.94
IUPAC Name3-bromo-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C8H8BrNO3S/c1-14(12,13)10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11)
InChIKeyXEERAOUNDOCRIO-UHFFFAOYSA-N
XLogP1.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-methylsulfonylbenzamide
CID 18331681
3-bromo-N-cyclopropylsulfonylbenzamide
CID 137332040
N-methylsulfonyl-3-propan-2-ylbenzamide
CID 59434803
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
3-amino-4-bromo-N-methylsulfonylbenzamide
CID 107813359
3-methyl-N-methylsulfonylbenzamide;nonane;pentane
CID 143716658
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
N-benzoyl-3-bromobenzamide
CID 118577200
3-bromo-N-(3-methylbut-2-en-2-yl)benzamide
CID 134550812
N-methylsulfonyl-3-(1,3-thiazol-4-yl)benzamide
CID 154810387
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methylsulfonylbenzamide?
The IUPAC name of 3-bromo-N-methylsulfonylbenzamide (CID 47269279) is 3-bromo-N-methylsulfonylbenzamide.
What is the SMILES notation for 3-bromo-N-methylsulfonylbenzamide?
The canonical SMILES for 3-bromo-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methylsulfonylbenzamide?
The InChIKey is XEERAOUNDOCRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3S/c1-14(12,13)10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11).
What are the key properties of 3-bromo-N-methylsulfonylbenzamide?
3-bromo-N-methylsulfonylbenzamide has a molecular weight of 278.13 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methylsulfonylbenzamide is sourced from PubChem (CID 47269279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).