2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid

C14H15NO4S2 — CID 81389842

IUPAC2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2cccs2)cc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-9-5-6-11(8-12(9)14(16)17)21(18,19)15-10(2)13-4-3-7-20-13/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyJSYUMKNCXMWSOR-SNVBAGLBSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds5

About 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid

2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid (PubChem CID 81389842) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
PubChem CID81389842
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)N[C@H](C)c2cccs2)cc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-9-5-6-11(8-12(9)14(16)17)21(18,19)15-10(2)13-4-3-7-20-13/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyJSYUMKNCXMWSOR-SNVBAGLBSA-N
XLogP2.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892
4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81399028
2-methyl-5-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 129414253
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid
CID 81389151
5-(4-hydroxybutan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 83177838
2-methyl-5-(1-methylsulfonylpropan-2-ylsulfamoyl)benzoic acid
CID 64630006
2-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395216
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679
2-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8798860
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid (CID 81389842) is 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid is Cc1ccc(S(=O)(=O)N[C@H](C)c2cccs2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid?
The InChIKey is JSYUMKNCXMWSOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-5-6-11(8-12(9)14(16)17)21(18,19)15-10(2)13-4-3-7-20-13/h3-8,10,15H,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid?
2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 81389842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).