5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide

C12H16BrNO3S — CID 103722599

IUPAC5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
SMILESCC(CCS(C)=O)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H16BrNO3S/c1-8(5-6-18(2)17)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyVKMPKLNKKVBKET-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.04
Rot. Bonds5

About 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide

5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide (PubChem CID 103722599) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
PubChem CID103722599
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
SMILESCC(CCS(C)=O)NC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H16BrNO3S/c1-8(5-6-18(2)17)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyVKMPKLNKKVBKET-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113248423
5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
4-bromo-2,6-difluoro-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 115687743
2-bromo-N-(4-methylsulfinylbutan-2-yl)furan-3-carboxamide
CID 106854364
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
5-bromo-2-hydroxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]benzamide
CID 47456163
(2R)-2-[(5-bromo-2-hydroxybenzoyl)amino]pentanoic acid
CID 107729511
2,4-diamino-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 113493375
5-bromo-N-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide (CID 103722599) is 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide is CC(CCS(C)=O)NC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide?
The InChIKey is VKMPKLNKKVBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-8(5-6-18(2)17)14-12(16)10-7-9(13)3-4-11(10)15/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide?
5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide has a molecular weight of 334.24 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-(4-methylsulfinylbutan-2-yl)benzamide is sourced from PubChem (CID 103722599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).