4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid

C15H17NO4S2 — CID 146121375

IUPAC4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccs1
InChIInChI=1S/C15H17NO4S2/c1-11-5-6-12(15(17)18)10-14(11)22(19,20)16(2)8-7-13-4-3-9-21-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyVGYPUXANZPFVDC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.62
Rot. Bonds6

About 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid

4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid (PubChem CID 146121375) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
PubChem CID146121375
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccs1
InChIInChI=1S/C15H17NO4S2/c1-11-5-6-12(15(17)18)10-14(11)22(19,20)16(2)8-7-13-4-3-9-21-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyVGYPUXANZPFVDC-UHFFFAOYSA-N
XLogP2.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
4-chloro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238130
4-methyl-3-[methyl-[3-(methylamino)-3-oxopropyl]sulfamoyl]benzoic acid
CID 104654629
5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 79486620
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
4-ethyl-3-(2-thiophen-2-ylethylsulfonyl)benzoic acid
CID 63775702
N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79489921
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
2-[5-[methyl(2-thiophen-2-ylethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 79488468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid (CID 146121375) is 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid is Cc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccs1.
What is the InChIKey of 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid?
The InChIKey is VGYPUXANZPFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-11-5-6-12(15(17)18)10-14(11)22(19,20)16(2)8-7-13-4-3-9-21-13/h3-6,9-10H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid?
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid has a molecular weight of 339.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 146121375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).