N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide

C10H14BrNO3S — CID 70935045

IUPACN-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESCc1cc(N(CCO)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C10H14BrNO3S/c1-8-7-9(3-4-10(8)11)12(5-6-13)16(2,14)15/h3-4,7,13H,5-6H2,1-2H3
InChIKeyDARJCZUFTXSYPT-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.52
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide

N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 70935045) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID70935045
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC NameN-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESCc1cc(N(CCO)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C10H14BrNO3S/c1-8-7-9(3-4-10(8)11)12(5-6-13)16(2,14)15/h3-4,7,13H,5-6H2,1-2H3
InChIKeyDARJCZUFTXSYPT-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]methanesulfonamide
CID 75418730
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3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
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1-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
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N-[2-(4-bromo-3-methyl-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
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N-(4-bromo-3-methylphenyl)methanesulfonohydrazide
CID 82307190
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 48557581
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-iodophenyl)acetamide
CID 126378158
N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 131961078
2-(4-bromo-3-methyl-N-(4-methylphenyl)sulfonylanilino)acetic acid
CID 28590060
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 17052672
2-[[2-(4-bromo-3-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-methylpropanamide
CID 132681653

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide (CID 70935045) is N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide is Cc1cc(N(CCO)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is DARJCZUFTXSYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-8-7-9(3-4-10(8)11)12(5-6-13)16(2,14)15/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide?
N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 308.20 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 70935045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).