N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide

C12H13NO3S2 — CID 113317180

IUPACN-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2O)s1
InChIInChI=1S/C12H13NO3S2/c1-9-6-7-12(17-9)18(15,16)13-8-10-4-2-3-5-11(10)14/h2-7,13-14H,8H2,1H3
InChIKeyNQPPVVBIIPDAKY-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.24
Rot. Bonds4

About N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide

N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113317180) has the molecular formula C12H13NO3S2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID113317180
Molecular FormulaC12H13NO3S2
Molecular Weight283.37 g/mol
Exact Mass283.03
IUPAC NameN-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2O)s1
InChIInChI=1S/C12H13NO3S2/c1-9-6-7-12(17-9)18(15,16)13-8-10-4-2-3-5-11(10)14/h2-7,13-14H,8H2,1H3
InChIKeyNQPPVVBIIPDAKY-UHFFFAOYSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 43550344
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 87032979
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
N-[(2-fluorophenyl)methyl]-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112992526
N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide (CID 113317180) is N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2O)s1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is NQPPVVBIIPDAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S2/c1-9-6-7-12(17-9)18(15,16)13-8-10-4-2-3-5-11(10)14/h2-7,13-14H,8H2,1H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 283.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113317180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).