4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid

C13H12BrNO4S2 — CID 81356153

IUPAC4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO4S2/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)11-6-12(13(16)17)20-7-11/h2-8,15H,1H3,(H,16,17)/t8-/m1/s1
InChIKeyQRNFRNXICZEETI-MRVPVSSYSA-N
MW390.28 g/mol
LogP3.25
Rot. Bonds5

About 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid

4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 81356153) has the molecular formula C13H12BrNO4S2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID81356153
Molecular FormulaC13H12BrNO4S2
Molecular Weight390.28 g/mol
Exact Mass388.94
IUPAC Name4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO4S2/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)11-6-12(13(16)17)20-7-11/h2-8,15H,1H3,(H,16,17)/t8-/m1/s1
InChIKeyQRNFRNXICZEETI-MRVPVSSYSA-N
XLogP3.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81399028
4-(but-3-yn-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 114414816
4-[(2,4-dibromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61062715
4-[1-(dimethylamino)propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 82945758
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073022
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
CID 107868859

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid (CID 81356153) is 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid is C[C@@H](NS(=O)(=O)c1csc(C(=O)O)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QRNFRNXICZEETI-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12BrNO4S2/c1-8(9-2-4-10(14)5-3-9)15-21(18,19)11-6-12(13(16)17)20-7-11/h2-8,15H,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid?
4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 390.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(4-bromophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 81356153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).