N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide

C13H15NO3S2 — CID 55159229

IUPACN-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)c2ccccc2)s1
InChIInChI=1S/C13H15NO3S2/c1-10-7-8-13(18-10)19(16,17)14-12(9-15)11-5-3-2-4-6-11/h2-8,12,14-15H,9H2,1H3
InChIKeyXSHHNMYHKSGCHG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.07
Rot. Bonds5

About N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide

N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide (PubChem CID 55159229) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide
PubChem CID55159229
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CO)c2ccccc2)s1
InChIInChI=1S/C13H15NO3S2/c1-10-7-8-13(18-10)19(16,17)14-12(9-15)11-5-3-2-4-6-11/h2-8,12,14-15H,9H2,1H3
InChIKeyXSHHNMYHKSGCHG-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide
CID 103825674
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
(2S)-2-[(5-methylthiophen-2-yl)sulfonylamino]pentanedioic acid
CID 61145094

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide (CID 55159229) is N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC(CO)c2ccccc2)s1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide?
The InChIKey is XSHHNMYHKSGCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-10-7-8-13(18-10)19(16,17)14-12(9-15)11-5-3-2-4-6-11/h2-8,12,14-15H,9H2,1H3.
What are the key properties of N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide?
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 55159229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).