5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid

C13H13NO4S2 — CID 63867055

IUPAC5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccccc1
InChIInChI=1S/C13H13NO4S2/c1-9(10-5-3-2-4-6-10)14-20(17,18)12-8-7-11(19-12)13(15)16/h2-9,14H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyGNCJNOZAHGKMAT-SECBINFHSA-N
MW311.38 g/mol
LogP2.49
Rot. Bonds5

About 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid

5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 63867055) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID63867055
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccccc1
InChIInChI=1S/C13H13NO4S2/c1-9(10-5-3-2-4-6-10)14-20(17,18)12-8-7-11(19-12)13(15)16/h2-9,14H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyGNCJNOZAHGKMAT-SECBINFHSA-N
XLogP2.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81404136
5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368003
5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368965
5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027369
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624
5-[(2-hydroxy-2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027894
5-(2-aminoethyl)-N-(1-phenylethyl)thiophene-2-sulfonamide
CID 43520782
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413
5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106156119
N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 42918243
5-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 79090371

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid (CID 63867055) is 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid is C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccccc1.
What is the InChIKey of 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GNCJNOZAHGKMAT-SECBINFHSA-N. The full InChI is InChI=1S/C13H13NO4S2/c1-9(10-5-3-2-4-6-10)14-20(17,18)12-8-7-11(19-12)13(15)16/h2-9,14H,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid?
5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63867055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).