4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid

C14H15NO4S2 — CID 43528166

IUPAC4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid
SMILESCN(Cc1ccsc1)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H15NO4S2/c1-15(8-12-6-7-20-9-12)21(18,19)10-11-2-4-13(5-3-11)14(16)17/h2-7,9H,8,10H2,1H3,(H,16,17)
InChIKeyIQHHASSOJFVLGO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.41
Rot. Bonds6

About 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid

4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid (PubChem CID 43528166) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid
PubChem CID43528166
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid
SMILESCN(Cc1ccsc1)S(=O)(=O)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H15NO4S2/c1-15(8-12-6-7-20-9-12)21(18,19)10-11-2-4-13(5-3-11)14(16)17/h2-7,9H,8,10H2,1H3,(H,16,17)
InChIKeyIQHHASSOJFVLGO-UHFFFAOYSA-N
XLogP2.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 43396637
3-bromo-4-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 43528174
4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
CID 43362585
4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 60952320
4-amino-2-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid
CID 102930944
4-[[3,6-dihydro-2H-pyran-5-ylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 146135367
2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81241113
4-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 43528520
N-(2-hydroxyethyl)-1-phenyl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 75421892
4-[[ethyl(1-thiophen-3-ylpropan-2-yl)amino]methyl]benzoic acid
CID 122033177
4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoic acid
CID 60750528
4-[cyclopropyl(thiophen-3-ylmethyl)amino]benzoic acid
CID 61434422

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid?
The IUPAC name of 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid (CID 43528166) is 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid?
The canonical SMILES for 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid is CN(Cc1ccsc1)S(=O)(=O)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid?
The InChIKey is IQHHASSOJFVLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-15(8-12-6-7-20-9-12)21(18,19)10-11-2-4-13(5-3-11)14(16)17/h2-7,9H,8,10H2,1H3,(H,16,17).
What are the key properties of 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid?
4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(thiophen-3-ylmethyl)sulfamoyl]methyl]benzoic acid is sourced from PubChem (CID 43528166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).