N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide

C14H14BrNO3S — CID 61419915

IUPACN-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Br)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H14BrNO3S/c1-16(10-11-4-2-3-5-14(11)15)20(18,19)13-8-6-12(17)7-9-13/h2-9,17H,10H2,1H3
InChIKeyGPRJXLUEGBSJFQ-UHFFFAOYSA-N
MW356.24 g/mol
LogP2.98
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide

N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide (PubChem CID 61419915) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
PubChem CID61419915
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Br)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H14BrNO3S/c1-16(10-11-4-2-3-5-14(11)15)20(18,19)13-8-6-12(17)7-9-13/h2-9,17H,10H2,1H3
InChIKeyGPRJXLUEGBSJFQ-UHFFFAOYSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
N-[(2-bromophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 34866736
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-disulfonamide
CID 17410036
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156
N-[(2-bromophenyl)methyl]-N,2-dimethylpyrazole-3-sulfonamide
CID 104709984
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
1-bromo-2-[[methyl(propan-2-ylsulfamoyl)amino]methyl]benzene
CID 115969609
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
3-amino-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 115328805
4-amino-N-[(2-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125375
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide (CID 61419915) is N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide is CN(Cc1ccccc1Br)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is GPRJXLUEGBSJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-16(10-11-4-2-3-5-14(11)15)20(18,19)13-8-6-12(17)7-9-13/h2-9,17H,10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide?
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 61419915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).