5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid

C13H13NO5S2 — CID 61027894

IUPAC5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC(O)c2ccccc2)s1
InChIInChI=1S/C13H13NO5S2/c15-10(9-4-2-1-3-5-9)8-14-21(18,19)12-7-6-11(20-12)13(16)17/h1-7,10,14-15H,8H2,(H,16,17)
InChIKeyALEMHMSUPXZCGN-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.46
Rot. Bonds6

About 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61027894) has the molecular formula C13H13NO5S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61027894
Molecular FormulaC13H13NO5S2
Molecular Weight327.38 g/mol
Exact Mass327.02
IUPAC Name5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCC(O)c2ccccc2)s1
InChIInChI=1S/C13H13NO5S2/c15-10(9-4-2-1-3-5-9)8-14-21(18,19)12-7-6-11(20-12)13(16)17/h1-7,10,14-15H,8H2,(H,16,17)
InChIKeyALEMHMSUPXZCGN-UHFFFAOYSA-N
XLogP1.46
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-5-methylthiophene-2-sulfonamide
CID 43502482
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
4,5-dibromo-N-(2-hydroxy-2-phenylethyl)thiophene-2-sulfonamide
CID 3566476
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
5-[(1-methylcyclobutyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114107579

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61027894) is 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCC(O)c2ccccc2)s1.
What is the InChIKey of 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ALEMHMSUPXZCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S2/c15-10(9-4-2-1-3-5-9)8-14-21(18,19)12-7-6-11(20-12)13(16)17/h1-7,10,14-15H,8H2,(H,16,17).
What are the key properties of 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61027894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).