5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide

C13H14BrNO3S2 — CID 107232063

IUPAC5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(CO)cc2)sc1Br
InChIInChI=1S/C13H14BrNO3S2/c1-9-6-12(19-13(9)14)20(17,18)15-7-10-2-4-11(8-16)5-3-10/h2-6,15-16H,7-8H2,1H3
InChIKeyNOUSNWNEVTUAQR-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.79
Rot. Bonds5

About 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide (PubChem CID 107232063) has the molecular formula C13H14BrNO3S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
PubChem CID107232063
Molecular FormulaC13H14BrNO3S2
Molecular Weight376.30 g/mol
Exact Mass374.96
IUPAC Name5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(CO)cc2)sc1Br
InChIInChI=1S/C13H14BrNO3S2/c1-9-6-12(19-13(9)14)20(17,18)15-7-10-2-4-11(8-16)5-3-10/h2-6,15-16H,7-8H2,1H3
InChIKeyNOUSNWNEVTUAQR-UHFFFAOYSA-N
XLogP2.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[[4-(dimethylamino)phenyl]methyl]thiophene-2-sulfonamide
CID 3794260
5-bromo-4-methyl-N-[(3-nitrophenyl)methyl]thiophene-2-sulfonamide
CID 79923088
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387
N-[2-(4-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-sulfonamide
CID 79987465
5-bromo-N-[2-(4-fluorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79994940
5-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]thiophene-2-sulfonamide
CID 79939263
5-bromo-4-methyl-N-[2-(methylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119972955
5-bromo-4-methyl-N-prop-2-enylthiophene-2-sulfonamide
CID 79925847
5-bromo-4-methyl-N-(3-methyl-2-oxobutyl)thiophene-2-sulfonamide
CID 79987385
3-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 79987643
5-bromo-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 79939163
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide (CID 107232063) is 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NCc2ccc(CO)cc2)sc1Br.
What is the InChIKey of 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is NOUSNWNEVTUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3S2/c1-9-6-12(19-13(9)14)20(17,18)15-7-10-2-4-11(8-16)5-3-10/h2-6,15-16H,7-8H2,1H3.
What are the key properties of 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 107232063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).