5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid

C13H12ClNO4S2 — CID 81374909

IUPAC5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1cc(C(=O)O)cs1)c1ccccc1Cl
InChIInChI=1S/C13H12ClNO4S2/c1-8(10-4-2-3-5-11(10)14)15-21(18,19)12-6-9(7-20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyIYXZJVCQDFYTAF-QMMMGPOBSA-N
MW345.83 g/mol
LogP3.14
Rot. Bonds5

About 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid

5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 81374909) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID81374909
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1cc(C(=O)O)cs1)c1ccccc1Cl
InChIInChI=1S/C13H12ClNO4S2/c1-8(10-4-2-3-5-11(10)14)15-21(18,19)12-6-9(7-20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyIYXZJVCQDFYTAF-QMMMGPOBSA-N
XLogP3.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81354446
5-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43432380
5-[[(1S)-1-(furan-2-yl)ethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 81409119
5-[1-(5-methylfuran-2-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 43229148
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-[(2-propan-2-yloxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56795843
2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfamoyl]propanoic acid
CID 81377048
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619
5-(1-hydroxybutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 43498976
5-(4-methylsulfanylbutan-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 104654871

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid (CID 81374909) is 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid is C[C@H](NS(=O)(=O)c1cc(C(=O)O)cs1)c1ccccc1Cl.
What is the InChIKey of 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is IYXZJVCQDFYTAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-8(10-4-2-3-5-11(10)14)15-21(18,19)12-6-9(7-20-12)13(16)17/h2-8,15H,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 345.83 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(2-chlorophenyl)ethyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 81374909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).