N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide

C10H14BrNO3S — CID 94717956

IUPACN-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCCO)ccc1Br
InChIInChI=1S/C10H14BrNO3S/c1-8-7-9(3-4-10(8)11)12-16(14,15)6-2-5-13/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyKMDXBQOZSYPNIU-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.88
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide

N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide (PubChem CID 94717956) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
PubChem CID94717956
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC NameN-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
SMILESCc1cc(NS(=O)(=O)CCCO)ccc1Br
InChIInChI=1S/C10H14BrNO3S/c1-8-7-9(3-4-10(8)11)12-16(14,15)6-2-5-13/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyKMDXBQOZSYPNIU-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide
CID 103609332
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114815397
3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181
N-(3-amino-4-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 79768205
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide (CID 94717956) is N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide is Cc1cc(NS(=O)(=O)CCCO)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide?
The InChIKey is KMDXBQOZSYPNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-8-7-9(3-4-10(8)11)12-16(14,15)6-2-5-13/h3-4,7,12-13H,2,5-6H2,1H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide?
N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 94717956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).